Chem
J-GLOBAL ID:200907055224819667
Nikkaji number:J937.609G
α-[Isoquinolin-1(2H)-ylidene]-4-(4-methoxyphenyl)-7-butoxyquinazoline-2-acetonitrile
α-[イソキノリン-1(2H)-イリデン]-4-(4-メトキシフェニル)-7-ブトキシキナゾリン-2-アセトニトリル
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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:
C30 H26 N4 O2
Molecular formula furigana:
C30-H26-N4-O2
Molecular weight:
474.564
InChI:
InChI=1S/C30H26N4O2/c1-3-4-17-36-23-13-14-25-27(18-23)33-30(34-28(25)21-9-11-22(35-2)12-10-21)26(19-31)29-24-8-6-5-7-20(24)15-16-32-29/h5-16,18,32H,3-4,17H2,1-2H3
InChI key:
GOTWZKZITRUCFL-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(nc(nc2c1)C(=c1[nH]ccc2ccccc12)C#N)c1ccc(OC)cc1
Systematic name (3):
α-[イソキノリン-1(2H)-イリデン]-4-(4-メトキシフェニル)-7-ブトキシキナゾリン-2-アセトニトリル
2-[7-ブトキシ-4-(4-メトキシフェニル)キナゾリン-2-イル]-2-(1,2-ジヒドロイソキノリン-1-イリデン)アセトニトリル
2-[7-butoxy-4-(4-methoxyphenyl)quinazolin-2-yl]-2-(1,2-dihydroisoquinolin-1-ylidene)acetonitrile
Other name (1):
α-[Isoquinolin-1(2H)-ylidene]-4-(4-methoxyphenyl)-7-butoxyquinazoline-2-acetonitrile
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