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

Systemtic Name: [1-(4-nitrophenyl)pyrazol-4-yl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone CAS Name: [1-(4-nitrophenyl)-4-pyrazolyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Traditional Name: (4-benzylpiperidino)-[1-(4-nitrophenyl)pyrazol-4-yl]methanone Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3/c27-22(24-12-10-18(11-13-24)14-17-4-2-1-3-5-17)19-15-23-25(16-19)20-6-8-21(9-7-20)26(28)29/h1-9,15-16,18H,10-14H2