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

Systemtic Name: N-[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-isobutyrylpiperazino)phenyl]-4-(4-methylpiperidino)-3-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)C(=O)NC3=C(C=CC(=C3)Cl)N4CCN(CC4)C(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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