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

Systemtic Name: 2-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[4-[4-(m-tolyl)piperazin-1-yl]butyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[4-[4-(m-tolyl)piperazino]butyl]-3-nitro-benzamide Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-18-7-5-8-20(17-18)26-15-13-25(14-16-26)12-4-3-11-24-23(28)21-9-6-10-22(19(21)2)27(29)30/h5-10,17H,3-4,11-16H2,1-2H3,(H,24,28)