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

Systemtic Name: N-[(2-chlorophenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-N,2-dimethyl-4-(o-tolyl)-1-oxo-isoquinoline-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxo-3-isoquinolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-keto-N,2-dimethyl-4-(o-tolyl)isoquinoline-3-carboxamide Formula: C26H23ClN2O2 MolecularWeight: 430.92602

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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)N(C)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)N(C)CC4=CC=CC=C4Cl

InChI

InChI=1S/C26H23ClN2O2/c1-17-10-4-6-12-19(17)23-20-13-7-8-14-21(20)25(30)29(3)24(23)26(31)28(2)16-18-11-5-9-15-22(18)27/h4-15H,16H2,1-3H3