Chem
J-GLOBAL ID:201507052235586425
Nikkaji number:J3.339.778J
N-[3β-(4-Nitrophenyl)cyclohexane-1β-yl]-3-isoquinolinecarboxamide
N-[3β-(4-ニトロフェニル)シクロヘキサン-1β-イル]-3-イソキノリンカルボアミド
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Substance type:
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
Molecular formula:
C22 H21 N2 [N+]O2 [O-]
Molecular formula furigana:
C22-H21-N3-O3
Molecular weight:
375.428
InChI:
InChI=1S/C22H21N3O3/c26-22(21-13-17-4-1-2-5-18(17)14-23-21)24-19-7-3-6-16(12-19)15-8-10-20(11-9-15)25(27)28/h1-2,4-5,8-11,13-14,16,19H,3,6-7,12H2,(H,24,26)/t16-,19+/m0/s1
InChI key:
XRRHSVKJAZMTFE-QFBILLFUSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)[C@H]1CCC[C@H](C1)NC(=O)c1cc2ccccc2cn1
Systematic name (3):
N-[3β-(4-ニトロフェニル)シクロヘキサン-1β-イル]-3-イソキノリンカルボアミド
N-[(1R,3S)-3-(4-ニトロフェニル)シクロヘキシル]イソキノリン-3-カルボキサミド
N-[(1R,3S)-3-(4-nitrophenyl)cyclohexyl]isoquinoline-3-carboxamide
Other name (1):
N-[3β-(4-Nitrophenyl)cyclohexane-1β-yl]-3-isoquinolinecarboxamide
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