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

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-5-nitro-2-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=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

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

InChI

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