[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Openeye Name: 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl 2,3-diphenylquinoxaline-6-carboxylate CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Traditional Name: 2,3-diphenylquinoxaline-6-carboxylic acid 1-(1,3-benzodioxol-5-ylcarbamoyl)propyl ester Formula: C32H25N3O5 MolecularWeight: 531.558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H25N3O5/c1-2-26(31(36)33-23-14-16-27-28(18-23)39-19-38-27)40-32(37)22-13-15-24-25(17-22)35-30(21-11-7-4-8-12-21)29(34-24)20-9-5-3-6-10-20/h3-18,26H,2,19H2,1H3,(H,33,36)