2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(3-methoxyphenyl)-1-oxo-N-(p-tolylmethyl)isoquinoline-4-carboxamide CAS Name: 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-oxoisoquinoline-4-carboxamide Traditional Name: 1-keto-2-(3-methoxyphenyl)-N-(4-methylbenzyl)isoquinoline-4-carboxamide Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H22N2O3/c1-17-10-12-18(13-11-17)15-26-24(28)23-16-27(19-6-5-7-20(14-19)30-2)25(29)22-9-4-3-8-21(22)23/h3-14,16H,15H2,1-2H3,(H,26,28)