N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]-5-nitro-2-piperidino-benzamide Formula: C27H34ClN5O4 MolecularWeight: 528.04296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4)Cl

InChI

InChI=1S/C27H34ClN5O4/c1-27(2,3)26(35)32-15-13-31(14-16-32)24-9-7-19(17-22(24)28)29-25(34)21-18-20(33(36)37)8-10-23(21)30-11-5-4-6-12-30/h7-10,17-18H,4-6,11-16H2,1-3H3,(H,29,34)