N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[3-[4-(o-tolyl)piperazin-1-yl]-3-oxo-propyl]benzamide CAS Name: N-[3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[4-(o-tolyl)piperazino]propyl]-4-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-16-4-2-3-5-19(16)23-12-14-24(15-13-23)20(26)10-11-22-21(27)17-6-8-18(9-7-17)25(28)29/h2-9H,10-15H2,1H3,(H,22,27)