N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(p-tolyl)ethyl]-3-nitro-benzamide CAS Name: N-[2-(4-methylphenyl)-2-(4-methyl-1-piperazinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-methylpiperazino)-2-(p-tolyl)ethyl]-3-nitro-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C21H26N4O3/c1-16-6-8-17(9-7-16)20(24-12-10-23(2)11-13-24)15-22-21(26)18-4-3-5-19(14-18)25(27)28/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,26)