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

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-3-nitro-4-piperidino-benzamide Formula: C27H34ClN5O4 MolecularWeight: 528.04296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34ClN5O4/c1-19(2)16-26(34)32-14-12-31(13-15-32)23-9-7-21(28)18-22(23)29-27(35)20-6-8-24(25(17-20)33(36)37)30-10-4-3-5-11-30/h6-9,17-19H,3-5,10-16H2,1-2H3,(H,29,35)