(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 4-(2-oxidanylpropyl)piperazine-1-carboxylate

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 4-(2-oxidanylpropyl)piperazine-1-carboxylate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 4-(2-hydroxypropyl)piperazine-1-carboxylate CAS Name: 4-(2-hydroxypropyl)-1-piperazinecarboxylic acid (4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 4-(2-hydroxypropyl)piperazine-1-carboxylate Traditional Name: 4-(2-hydroxypropyl)piperazine-1-carboxylic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)N4CCN(CC4)CC(C)O

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)N4CCN(CC4)CC(C)O

InChI

InChI=1S/C27H34N4O4/c1-3-4-15-24-25(33)30(22-11-7-5-8-12-22)31(23-13-9-6-10-14-23)26(24)35-27(34)29-18-16-28(17-19-29)20-21(2)32/h5-14,21,32H,3-4,15-20H2,1-2H3