ethyl 1-(2-oxidanyl-2-phenyl-ethyl)-5-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-oxidanyl-2-phenyl-ethyl)-5-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxy-2-phenyl-ethyl)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxy-2-phenylethyl)-5-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate Traditional Name: 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxy-2-phenyl-ethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC(C2=CC=CC=C2)O)NC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O4/c1-2-35-25(33)22-17-27-31(19-23(32)21-11-7-4-8-12-21)24(22)28-26(34)30-15-13-29(14-16-30)18-20-9-5-3-6-10-20/h3-12,17,23,32H,2,13-16,18-19H2,1H3,(H,28,34)