Chem
J-GLOBAL ID：201007037420249030
Nikkaji number：J2.848.880G
(1S,3R)-1β-(4-Nitrophenyl)-2-(1H-indole-3-ylcarbonyl)-2′-oxo-1,2,5,6,7,7aβ-hexahydrospiro[3H-pyrrolizine-3,3′-indoline]-2β-carbonitrile
(1S,3R)-1β-(4-ニトロフェニル)-2-(1H-インドール-3-イルカルボニル)-2′-オキソ-1,2,5,6,7,7aβ-ヘキサヒドロスピロ[3H-ピロリザイン-3,3′-インドリン]-2β-カルボニトリル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C30H23N4[N+]O3[O-]
Molecular formula furigana： C30-H23-N5-O4
Molecular weight： 517.544
InChI：
InChI=1S/C30H23N5O4/c31-17-29(27(36)21-16-32-23-8-3-1-6-20(21)23)26(18-11-13-19(14-12-18)35(38)39)25-10-5-15-34(25)30(29)22-7-2-4-9-24(22)33-28(30)37/h1-4,6-9,11-14,16,25-26,32H,5,10,15H2,(H,33,37)/t25-,26-,29-,30+/m1/s1
InChI key：
VLUSXTUKXUHEFG-JQYHKRKISA-N
SMILES：
[O-][N+](=O)c1ccc(cc1)[C@@H]1[C@H]2CCCN2[C@@]2(C(=O)Nc3ccccc23)[C@@]1(C#N)C(=O)c1c[nH]c2ccccc12
Systematic name (3)：
- (1S,3R)-1β-(4-ニトロフェニル)-2-(1H-インドール-3-イルカルボニル)-2′-オキソ-1,2,5,6,7,7aβ-ヘキサヒドロスピロ[3H-ピロリザイン-3,3′-インドリン]-2β-カルボニトリル
- (1'S,2'S,3R,7'aR)-2'-(1H-インドール-3-カルボニル)-1'-(4-ニトロフェニル)-2-オキソ-1,1',2,2',5',6',7',7'a-オクタヒドロスピロ[インドール-3,3'-ピロリジン]-2'-カルボニトリル
- (1'S,2'S,3R,7'aR)-2'-(1H-indole-3-carbonyl)-1'-(4-nitrophenyl)-2-oxo-1,1',2,2',5',6',7',7'a-octahydrospiro[indole-3,3'-pyrrolizine]-2'-carbonitrile
- (1S,3R)-1β-(4-Nitrophenyl)-2-(1H-indole-3-ylcarbonyl)-2′-oxo-1,2,5,6,7,7aβ-hexahydrospiro[3H-pyrrolizine-3,3′-indoline]-2β-carbonitrile
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