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

Systemtic Name: 2-chloranyl-N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazino)ethyl]-4-nitro-benzamide Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN5O3/c1-25(2)17-6-4-16(5-7-17)21(27-12-10-26(3)11-13-27)15-24-22(29)19-9-8-18(28(30)31)14-20(19)23/h4-9,14,21H,10-13,15H2,1-3H3,(H,24,29)