(E)-3-(3-nitrophenyl)-3-[4-(phenylmethyl)piperidin-1-yl]prop-2-enenitrile

Systemtic Name: (E)-3-(3-nitrophenyl)-3-[4-(phenylmethyl)piperidin-1-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-benzyl-1-piperidyl)-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-(3-nitrophenyl)-3-[4-(phenylmethyl)-1-piperidinyl]-2-propenenitrile IUPAC Name: (E)-3-(4-benzylpiperidin-1-yl)-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzylpiperidino)-3-(3-nitrophenyl)acrylonitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)/C(=C/C#N)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O2/c22-12-9-21(19-7-4-8-20(16-19)24(25)26)23-13-10-18(11-14-23)15-17-5-2-1-3-6-17/h1-9,16,18H,10-11,13-15H2/b21-9+