2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O3/c1-18-23(29(31)32)19(2)28(25-18)17-22(30)26-13-15-27(16-14-26)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,24H,13-17H2,1-2H3