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

Systemtic Name: 1-(3-nitrophenyl)-3-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-(4-benzyl-1-piperidyl)-1-(3-nitrophenyl)propan-1-one CAS Name: 1-(3-nitrophenyl)-3-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(4-benzylpiperidin-1-yl)-1-(3-nitrophenyl)propan-1-one Traditional Name: 3-(4-benzylpiperidino)-1-(3-nitrophenyl)propan-1-one Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O3/c24-21(19-7-4-8-20(16-19)23(25)26)11-14-22-12-9-18(10-13-22)15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2