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

Systemtic Name: (4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl) 4-methylpiperazine-1-carboxylate Openeye Name: (4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl) 4-methylpiperazine-1-carboxylate CAS Name: 4-methyl-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-methylpiperazine-1-carboxylate Traditional Name: 4-methylpiperazine-1-carboxylic acid (4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3/c1-3-4-15-22-23(30)28(20-11-7-5-8-12-20)29(21-13-9-6-10-14-21)24(22)32-25(31)27-18-16-26(2)17-19-27/h5-14H,3-4,15-19H2,1-2H3