ethyl 6,7-bis(chloranyl)-3-[4-(1-phenyl-5-propyl-pyrazol-4-yl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-[4-(1-phenyl-5-propyl-pyrazol-4-yl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 6,7-dichloro-3-[4-[oxo-(1-phenyl-5-propyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-[4-(1-phenyl-5-propylpyrazole-4-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 6,7-dichloro-3-[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)piperazino]quinoxaline-2-carboxylic acid ethyl ester Formula: C28H28Cl2N6O3 MolecularWeight: 567.46632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5N=C4C(=O)OCC)Cl)Cl

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC5=CC(=C(C=C5N=C4C(=O)OCC)Cl)Cl

InChI

InChI=1S/C28H28Cl2N6O3/c1-3-8-24-19(17-31-36(24)18-9-6-5-7-10-18)27(37)35-13-11-34(12-14-35)26-25(28(38)39-4-2)32-22-15-20(29)21(30)16-23(22)33-26/h5-7,9-10,15-17H,3-4,8,11-14H2,1-2H3