3-(3-nitropyrazol-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(3-nitropyrazol-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-3-(3-nitropyrazol-1-yl)propan-1-one CAS Name: 3-(3-nitro-1-pyrazolyl)-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-3-(3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-(4-benzylpiperidino)-3-(3-nitropyrazol-1-yl)propan-1-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O3/c23-18(9-13-21-12-8-17(19-21)22(24)25)20-10-6-16(7-11-20)14-15-4-2-1-3-5-15/h1-5,8,12,16H,6-7,9-11,13-14H2