methyl 6-chloranyl-2-(methylamino)-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 6-chloranyl-2-(methylamino)-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 6-chloro-2-(methylamino)-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 6-chloro-2-(methylamino)-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-chloro-2-(methylamino)-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 6-chloro-1-keto-2-(methylamino)-4-(p-tolyl)isoquinoline-3-carboxylic acid methyl ester Formula: C19H17ClN2O3 MolecularWeight: 356.80288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)NC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)NC)C(=O)OC

InChI

InChI=1S/C19H17ClN2O3/c1-11-4-6-12(7-5-11)16-15-10-13(20)8-9-14(15)18(23)22(21-2)17(16)19(24)25-3/h4-10,21H,1-3H3