3-nitro-4-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzamide

Systemtic Name: 3-nitro-4-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzamide Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)ethylamino]-3-nitro-benzamide CAS Name: 3-nitro-4-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]benzamide IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)ethylamino]-3-nitrobenzamide Traditional Name: 4-[2-(4-benzylpiperazino)ethylamino]-3-nitro-benzamide Formula: C20H25N5O3 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c21-20(26)17-6-7-18(19(14-17)25(27)28)22-8-9-23-10-12-24(13-11-23)15-16-4-2-1-3-5-16/h1-7,14,22H,8-13,15H2,(H2,21,26)