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

Systemtic Name: ethyl 6,7-dimethyl-3-[4-(1-phenyl-5-propyl-pyrazol-4-yl)carbonylpiperazin-1-yl]quinoxaline-2-carboxylate Openeye Name: ethyl 6,7-dimethyl-3-[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate CAS Name: 6,7-dimethyl-3-[4-[oxo-(1-phenyl-5-propyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethyl-3-[4-(1-phenyl-5-propylpyrazole-4-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate Traditional Name: 6,7-dimethyl-3-[4-(1-phenyl-5-propyl-pyrazole-4-carbonyl)piperazino]quinoxaline-2-carboxylic acid ethyl ester Formula: C30H34N6O3 MolecularWeight: 526.62936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC5=C(C=C(C(=C5)C)C)N=C4C(=O)OCC

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC5=C(C=C(C(=C5)C)C)N=C4C(=O)OCC

InChI

InChI=1S/C30H34N6O3/c1-5-10-26-23(19-31-36(26)22-11-8-7-9-12-22)29(37)35-15-13-34(14-16-35)28-27(30(38)39-6-2)32-24-17-20(3)21(4)18-25(24)33-28/h7-9,11-12,17-19H,5-6,10,13-16H2,1-4H3