2-(4-nitropyrazol-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(4-nitropyrazol-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(4-nitropyrazol-1-yl)ethanone CAS Name: 2-(4-nitro-1-pyrazolyl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(4-nitropyrazol-1-yl)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(4-nitropyrazol-1-yl)ethanone Formula: C17H20N4O3 MolecularWeight: 328.3657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3/c22-17(13-20-12-16(11-18-20)21(23)24)19-8-6-15(7-9-19)10-14-4-2-1-3-5-14/h1-5,11-12,15H,6-10,13H2