2-(3,4-dimethylphenyl)-1-oxidanylidene-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-1-oxidanylidene-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-1-oxo-N-(3-pyridylmethyl)isoquinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-1-oxo-N-(3-pyridinylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-1-keto-N-(3-pyridylmethyl)isoquinoline-4-carboxamide Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NCC4=CN=CC=C4)C

InChI

InChI=1S/C24H21N3O2/c1-16-9-10-19(12-17(16)2)27-15-22(20-7-3-4-8-21(20)24(27)29)23(28)26-14-18-6-5-11-25-13-18/h3-13,15H,14H2,1-2H3,(H,26,28)