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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-17-5-4-6-19(15-17)26-13-11-25(12-14-26)10-9-23-22(28)18-7-8-20(24(2)3)21(16-18)27(29)30/h4-8,15-16H,9-14H2,1-3H3,(H,23,28)