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

Systemtic Name: N-[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[3-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=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

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