[5-(4-nitrophenyl)-1H-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [5-(4-nitrophenyl)-1H-pyrazol-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone CAS Name: [5-(4-nitrophenyl)-1H-pyrazol-4-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[5-(4-nitrophenyl)-1H-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=C(NN=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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