N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-isobutyrylpiperazino)phenyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C27H34ClN5O4 MolecularWeight: 528.04296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C(=CC=C3)Cl)N4CCN(CC4)C(=O)C(C)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C(=CC=C3)Cl)N4CCN(CC4)C(=O)C(C)C

InChI

InChI=1S/C27H34ClN5O4/c1-18(2)27(35)32-15-13-31(14-16-32)25-22(28)5-4-6-23(25)29-26(34)21-17-20(33(36)37)7-8-24(21)30-11-9-19(3)10-12-30/h4-8,17-19H,9-16H2,1-3H3,(H,29,34)