N-[5-(butanoylamino)-2-chloranyl-phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[5-(butanoylamino)-2-chloranyl-phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[5-(butanoylamino)-2-chloro-phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-chloro-5-(1-oxobutylamino)phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[5-(butanoylamino)-2-chlorophenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-(5-butyramido-2-chloro-phenyl)-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O4/c1-3-4-22(29)25-17-6-7-18(24)19(14-17)26-23(30)16-5-8-20(21(13-16)28(31)32)27-11-9-15(2)10-12-27/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,25,29)(H,26,30)