2-(3,5-dimethoxyphenyl)carbonyl-1-(phenylmethyl)isoquinoline-1-carbonitrile

Systemtic Name: 2-(3,5-dimethoxyphenyl)carbonyl-1-(phenylmethyl)isoquinoline-1-carbonitrile Openeye Name: 1-benzyl-2-(3,5-dimethoxybenzoyl)isoquinoline-1-carbonitrile CAS Name: 2-[(3,5-dimethoxyphenyl)-oxomethyl]-1-(phenylmethyl)-1-isoquinolinecarbonitrile IUPAC Name: 1-benzyl-2-(3,5-dimethoxybenzoyl)isoquinoline-1-carbonitrile Traditional Name: 1-benzyl-2-(3,5-dimethoxybenzoyl)isoquinoline-1-carbonitrile Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C26H22N2O3/c1-30-22-14-21(15-23(16-22)31-2)25(29)28-13-12-20-10-6-7-11-24(20)26(28,18-27)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3