6-chloranyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxidanylidene-N-(phenylmethyl)isoquinoline-3-carboxamide

Systemtic Name: 6-chloranyl-N,2-dimethyl-4-(2-methylphenyl)-1-oxidanylidene-N-(phenylmethyl)isoquinoline-3-carboxamide Openeye Name: N-benzyl-6-chloro-N,2-dimethyl-4-(o-tolyl)-1-oxo-isoquinoline-3-carboxamide CAS Name: 6-chloro-N,2-dimethyl-4-(2-methylphenyl)-1-oxo-N-(phenylmethyl)-3-isoquinolinecarboxamide IUPAC Name: N-benzyl-6-chloro-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide Traditional Name: N-benzyl-6-chloro-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=C2C=C(C=C3)Cl)C)C(=O)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)C)C(=O)N(C)CC4=CC=CC=C4

InChI

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