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

Systemtic Name: ethyl 1-(2-oxidanylpropyl)-5-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate CAS Name: 1-(2-hydroxypropyl)-5-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate Traditional Name: 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypropyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)CC(C)O)NC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)CC(C)O)NC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O4/c1-3-30-20(28)18-13-22-26(14-16(2)27)19(18)23-21(29)25-11-9-24(10-12-25)15-17-7-5-4-6-8-17/h4-8,13,16,27H,3,9-12,14-15H2,1-2H3,(H,23,29)