4-nitro-2-[1-(phenylmethyl)piperidin-4-yl]benzene-1,3-diamine

Systemtic Name: 4-nitro-2-[1-(phenylmethyl)piperidin-4-yl]benzene-1,3-diamine Openeye Name: 2-(1-benzyl-4-piperidyl)-4-nitro-benzene-1,3-diamine CAS Name: 4-nitro-2-[1-(phenylmethyl)-4-piperidinyl]benzene-1,3-diamine IUPAC Name: 2-(1-benzylpiperidin-4-yl)-4-nitrobenzene-1,3-diamine Traditional Name: [3-amino-2-(1-benzyl-4-piperidyl)-4-nitro-phenyl]amine Formula: C18H22N4O2 MolecularWeight: 326.39288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C=CC(=C2N)[N+](=O)[O-])N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C2=C(C=CC(=C2N)[N+](=O)[O-])N)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N4O2/c19-15-6-7-16(22(23)24)18(20)17(15)14-8-10-21(11-9-14)12-13-4-2-1-3-5-13/h1-7,14H,8-12,19-20H2