5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzenecarbonitrile Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)ethylamino]-5-nitro-benzonitrile CAS Name: 5-nitro-2-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]benzonitrile IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[2-(4-benzylpiperazino)ethylamino]-5-nitro-benzonitrile Formula: C20H23N5O2 MolecularWeight: 365.42892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O2/c21-15-18-14-19(25(26)27)6-7-20(18)22-8-9-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-7,14,22H,8-13,16H2