[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Openeye Name: 1-[(5-chloro-2-pyridyl)carbamoyl]propyl 2,3-bis(p-tolyl)quinoxaline-6-carboxylate CAS Name: 2,3-bis(4-methylphenyl)-6-quinoxalinecarboxylic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxobutan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Traditional Name: 2,3-bis(p-tolyl)quinoxaline-6-carboxylic acid 1-[(5-chloro-2-pyridyl)carbamoyl]propyl ester Formula: C32H27ClN4O3 MolecularWeight: 551.03478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C32H27ClN4O3/c1-4-27(31(38)37-28-16-14-24(33)18-34-28)40-32(39)23-13-15-25-26(17-23)36-30(22-11-7-20(3)8-12-22)29(35-25)21-9-5-19(2)6-10-21/h5-18,27H,4H2,1-3H3,(H,34,37,38)