2-(methylamino)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-nitro-benzamide

Systemtic Name: 2-(methylamino)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-nitro-benzamide Openeye Name: 2-(methylamino)-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-5-nitro-benzamide CAS Name: 2-(methylamino)-N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-5-nitrobenzamide IUPAC Name: 2-(methylamino)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-5-nitrobenzamide Traditional Name: 2-(methylamino)-N-[3-[4-(m-tolyl)piperazino]propyl]-5-nitro-benzamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-17-5-3-6-18(15-17)26-13-11-25(12-14-26)10-4-9-24-22(28)20-16-19(27(29)30)7-8-21(20)23-2/h3,5-8,15-16,23H,4,9-14H2,1-2H3,(H,24,28)