[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl] 2,3-diphenylquinoxaline-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl] 2,3-diphenylquinoxaline-6-carboxylate Openeye Name: [2-oxo-2-(3-pyridylmethylamino)ethyl] 2,3-diphenylquinoxaline-6-carboxylate CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid [2-oxo-2-(3-pyridinylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 2,3-diphenylquinoxaline-6-carboxylate Traditional Name: 2,3-diphenylquinoxaline-6-carboxylic acid [2-keto-2-(3-pyridylmethylamino)ethyl] ester Formula: C29H22N4O3 MolecularWeight: 474.50998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OCC(=O)NCC4=CN=CC=C4)N=C2C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OCC(=O)NCC4=CN=CC=C4)N=C2C5=CC=CC=C5

InChI

InChI=1S/C29H22N4O3/c34-26(31-18-20-8-7-15-30-17-20)19-36-29(35)23-13-14-24-25(16-23)33-28(22-11-5-2-6-12-22)27(32-24)21-9-3-1-4-10-21/h1-17H,18-19H2,(H,31,34)