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

Systemtic Name: [2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(3-pyridylmethylamino)ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [2-oxo-2-(3-pyridinylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-keto-2-(3-pyridylmethylamino)ethyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CN=CC=C4

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H21N3O4/c1-28-23(25(31)32-16-21(29)27-15-17-8-7-13-26-14-17)22(18-9-3-2-4-10-18)19-11-5-6-12-20(19)24(28)30/h2-14H,15-16H2,1H3,(H,27,29)