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

Systemtic Name: 4-chloranyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-nitro-benzamide Openeye Name: 4-chloro-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-2-nitro-benzamide CAS Name: 4-chloro-N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-2-nitrobenzamide IUPAC Name: 4-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-nitrobenzamide Traditional Name: 4-chloro-N-[3-[4-(m-tolyl)piperazino]propyl]-2-nitro-benzamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3/c1-16-4-2-5-18(14-16)25-12-10-24(11-13-25)9-3-8-23-21(27)19-7-6-17(22)15-20(19)26(28)29/h2,4-7,14-15H,3,8-13H2,1H3,(H,23,27)