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

Systemtic Name: 6-chloranyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxamide Openeye Name: 6-chloro-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-4-(o-tolyl)-1-oxo-isoquinoline-3-carboxamide CAS Name: 6-chloro-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxo-3-isoquinolinecarboxamide IUPAC Name: 6-chloro-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-4-(2-methylphenyl)-1-oxoisoquinoline-3-carboxamide Traditional Name: 6-chloro-1-keto-N,2-dimethyl-4-(o-tolyl)-N-p-anisyl-isoquinoline-3-carboxamide Formula: C27H25ClN2O3 MolecularWeight: 460.952

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN2O3/c1-17-7-5-6-8-21(17)24-23-15-19(28)11-14-22(23)26(31)30(3)25(24)27(32)29(2)16-18-9-12-20(33-4)13-10-18/h5-15H,16H2,1-4H3