2-nitro-6-[[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 2-nitro-6-[[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(4-benzylpiperazin-1-yl)anilino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-nitro-6-[[4-[4-(phenylmethyl)-1-piperazinyl]anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(4-benzylpiperazin-1-yl)anilino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(4-benzylpiperazino)anilino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C24H24N4O3 MolecularWeight: 416.47236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC=C4C=CC=C(C4=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC=C4C=CC=C(C4=O)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O3/c29-24-20(7-4-8-23(24)28(30)31)17-25-21-9-11-22(12-10-21)27-15-13-26(14-16-27)18-19-5-2-1-3-6-19/h1-12,17,25H,13-16,18H2