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

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-nitro-benzamide Openeye Name: N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-2-nitro-benzamide CAS Name: N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-2-nitrobenzamide IUPAC Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-nitrobenzamide Traditional Name: N-[3-[4-(m-tolyl)piperazino]propyl]-2-nitro-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-17-6-4-7-18(16-17)24-14-12-23(13-15-24)11-5-10-22-21(26)19-8-2-3-9-20(19)25(27)28/h2-4,6-9,16H,5,10-15H2,1H3,(H,22,26)