N-[(3,5-dimethylphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxamide

Systemtic Name: N-[(3,5-dimethylphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxamide Openeye Name: N-[(3,5-dimethylphenyl)methyl]-2-methyl-4-(o-tolyl)-1-oxo-isoquinoline-3-carboxamide CAS Name: N-[(3,5-dimethylphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxo-3-isoquinolinecarboxamide IUPAC Name: N-[(3,5-dimethylphenyl)methyl]-2-methyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide Traditional Name: N-(3,5-dimethylbenzyl)-1-keto-2-methyl-4-(o-tolyl)isoquinoline-3-carboxamide Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)NCC4=CC(=CC(=C4)C)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)NCC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C27H26N2O2/c1-17-13-18(2)15-20(14-17)16-28-26(30)25-24(21-10-6-5-9-19(21)3)22-11-7-8-12-23(22)27(31)29(25)4/h5-15H,16H2,1-4H3,(H,28,30)