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

Systemtic Name: N-[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[5-chloro-2-(4-isobutyrylpiperazino)phenyl]-3-nitro-4-piperidino-benzamide Formula: C26H32ClN5O4 MolecularWeight: 514.01638

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H32ClN5O4/c1-18(2)26(34)31-14-12-30(13-15-31)22-9-7-20(27)17-21(22)28-25(33)19-6-8-23(24(16-19)32(35)36)29-10-4-3-5-11-29/h6-9,16-18H,3-5,10-15H2,1-2H3,(H,28,33)