3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-nitro-benzonitrile CAS Name: 3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-nitrobenzonitrile Traditional Name: 4-(4-benzylpiperazino)-3-nitro-benzonitrile Formula: C18H18N4O2 MolecularWeight: 322.36112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2/c19-13-16-6-7-17(18(12-16)22(23)24)21-10-8-20(9-11-21)14-15-4-2-1-3-5-15/h1-7,12H,8-11,14H2