6,7-dimethoxy-2-(phenylcarbonyl)-1-(phenylmethyl)isoquinoline-1-carbonitrile

Systemtic Name: 6,7-dimethoxy-2-(phenylcarbonyl)-1-(phenylmethyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-benzyl-6,7-dimethoxy-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-6,7-dimethoxy-1-(phenylmethyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-benzyl-6,7-dimethoxyisoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-benzyl-6,7-dimethoxy-isoquinoline-1-carbonitrile Formula: C26H22N2O3 MolecularWeight: 410.46448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN(C2(CC3=CC=CC=C3)C#N)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN(C2(CC3=CC=CC=C3)C#N)C(=O)C4=CC=CC=C4)OC

InChI

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