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

Systemtic Name: 4-chloranyl-N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazino)ethyl]-3-nitro-benzamide Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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