[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2,3-bis(p-tolyl)quinoxaline-6-carboxylate CAS Name: 2,3-bis(4-methylphenyl)-6-quinoxalinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Traditional Name: 2,3-bis(p-tolyl)quinoxaline-6-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C31H31N3O3 MolecularWeight: 493.59614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OCC(=O)N4CCCCCC4)N=C2C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OCC(=O)N4CCCCCC4)N=C2C5=CC=C(C=C5)C

InChI

InChI=1S/C31H31N3O3/c1-21-7-11-23(12-8-21)29-30(24-13-9-22(2)10-14-24)33-27-19-25(15-16-26(27)32-29)31(36)37-20-28(35)34-17-5-3-4-6-18-34/h7-16,19H,3-6,17-18,20H2,1-2H3