[1-(4-nitrophenyl)pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(4-nitrophenyl)pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone CAS Name: [1-(4-nitrophenyl)-4-pyrazolyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3/c27-21(24-12-10-23(11-13-24)15-17-4-2-1-3-5-17)18-14-22-25(16-18)19-6-8-20(9-7-19)26(28)29/h1-9,14,16H,10-13,15H2