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

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-[4-(4-pentylphenyl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-[4-(4-pentylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 6,7-dichloro-3-[4-[oxo-(4-pentylphenyl)methyl]-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-[4-(4-pentylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 3-[4-(4-amylbenzoyl)piperazino]-6,7-dichloro-quinoxaline-2-carboxylic acid ethyl ester Formula: C27H30Cl2N4O3 MolecularWeight: 529.4581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4N=C3C(=O)OCC)Cl)Cl

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=CC(=C(C=C4N=C3C(=O)OCC)Cl)Cl

InChI

InChI=1S/C27H30Cl2N4O3/c1-3-5-6-7-18-8-10-19(11-9-18)26(34)33-14-12-32(13-15-33)25-24(27(35)36-4-2)30-22-16-20(28)21(29)17-23(22)31-25/h8-11,16-17H,3-7,12-15H2,1-2H3