[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(3-pyridylmethylamino)ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [2-oxo-2-(3-pyridinylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-2-(3-pyridylmethylamino)ethyl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OCC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C26H23N3O4/c1-17-9-11-19(12-10-17)23-20-7-3-4-8-21(20)25(31)29(2)24(23)26(32)33-16-22(30)28-15-18-6-5-13-27-14-18/h3-14H,15-16H2,1-2H3,(H,28,30)