[1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-pyridylamino)ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-4-ylamino)propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-1-methyl-2-(4-pyridylamino)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)OC(C)C(=O)NC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C26H23N3O4/c1-16-8-10-18(11-9-16)22-20-6-4-5-7-21(20)25(31)29(3)23(22)26(32)33-17(2)24(30)28-19-12-14-27-15-13-19/h4-15,17H,1-3H3,(H,27,28,30)