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

Systemtic Name: ethyl 1-(2-oxidanylpentyl)-5-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypentyl)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxypentyl)-5-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypentyl)pyrazole-4-carboxylate Traditional Name: 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypentyl)pyrazole-4-carboxylic acid ethyl ester Formula: C23H33N5O4 MolecularWeight: 443.53922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)N2CCN(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCCC(CN1C(=C(C=N1)C(=O)OCC)NC(=O)N2CCN(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H33N5O4/c1-3-8-19(29)17-28-21(20(15-24-28)22(30)32-4-2)25-23(31)27-13-11-26(12-14-27)16-18-9-6-5-7-10-18/h5-7,9-10,15,19,29H,3-4,8,11-14,16-17H2,1-2H3,(H,25,31)