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

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

Isomeric SMILES

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

InChI

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