N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitro-benzamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazino)ethyl]-3-nitro-benzamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)N(C)C

InChI

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