N-(2-cyanoethyl)-6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxamide

Systemtic Name: N-(2-cyanoethyl)-6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinoline-4-carboxamide Openeye Name: N-(2-cyanoethyl)-6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxamide CAS Name: N-(2-cyanoethyl)-6,7-dimethoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinecarboxamide IUPAC Name: N-(2-cyanoethyl)-6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinoline-4-carboxamide Traditional Name: N-(2-cyanoethyl)-1-m-anisoyl-6,7-dimethoxy-isoquinoline-4-carboxamide Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)NCCC#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)NCCC#N

InChI

InChI=1S/C23H21N3O5/c1-29-15-7-4-6-14(10-15)22(27)21-17-12-20(31-3)19(30-2)11-16(17)18(13-26-21)23(28)25-9-5-8-24/h4,6-7,10-13H,5,9H2,1-3H3,(H,25,28)