[1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

Systemtic Name: [1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Openeye Name: 1-[(4-iodophenyl)carbamoyl]propyl 2,3-diphenylquinoxaline-6-carboxylate CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid [1-(4-iodoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-iodoanilino)-1-oxobutan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Traditional Name: 2,3-diphenylquinoxaline-6-carboxylic acid 1-[(4-iodophenyl)carbamoyl]propyl ester Formula: C31H24IN3O3 MolecularWeight: 613.44503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H24IN3O3/c1-2-27(30(36)33-24-16-14-23(32)15-17-24)38-31(37)22-13-18-25-26(19-22)35-29(21-11-7-4-8-12-21)28(34-25)20-9-5-3-6-10-20/h3-19,27H,2H2,1H3,(H,33,36)