ethyl 6,7-dimethyl-3-[4-(4-pentylphenyl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 6,7-dimethyl-3-[4-(4-pentylphenyl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 6,7-dimethyl-3-[4-(4-pentylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 6,7-dimethyl-3-[4-[oxo-(4-pentylphenyl)methyl]-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethyl-3-[4-(4-pentylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(4-amylbenzoyl)piperazino]-6,7-dimethyl-quinoxaline-2-carboxylic acid ethyl ester Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C(=C4)C)C)N=C3C(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=C(C(=C4)C)C)N=C3C(=O)OCC

InChI

InChI=1S/C29H36N4O3/c1-5-7-8-9-22-10-12-23(13-11-22)28(34)33-16-14-32(15-17-33)27-26(29(35)36-6-2)30-24-18-20(3)21(4)19-25(24)31-27/h10-13,18-19H,5-9,14-17H2,1-4H3