4-methyl-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[3-[4-(4-methyl-1-piperazinyl)phenyl]propyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[3-[4-(4-methylpiperazino)phenyl]propyl]-3-nitro-benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCC2=CC=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCC2=CC=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-17-5-8-19(16-21(17)26(28)29)22(27)23-11-3-4-18-6-9-20(10-7-18)25-14-12-24(2)13-15-25/h5-10,16H,3-4,11-15H2,1-2H3,(H,23,27)