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

Systemtic Name: 3-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-nitro-benzamide Openeye Name: 3-methyl-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-2-nitro-benzamide CAS Name: 3-methyl-N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-2-nitrobenzamide IUPAC Name: 3-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-nitrobenzamide Traditional Name: 3-methyl-N-[3-[4-(m-tolyl)piperazino]propyl]-2-nitro-benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-17-6-3-8-19(16-17)25-14-12-24(13-15-25)11-5-10-23-22(27)20-9-4-7-18(2)21(20)26(28)29/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,23,27)