1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxyisoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-7,8-dimethoxy-1-veratryl-isoquinoline-1-carbonitrile Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2(C3=C(C=CC(=C3OC)OC)C=CN2C(=O)C4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2(C3=C(C=CC(=C3OC)OC)C=CN2C(=O)C4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C28H26N2O5/c1-32-22-12-10-19(16-24(22)34-3)17-28(18-29)25-20(11-13-23(33-2)26(25)35-4)14-15-30(28)27(31)21-8-6-5-7-9-21/h5-16H,17H2,1-4H3