N-[3-[[(4-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide CAS Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-4-nitrobenzamide Traditional Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide Formula: C22H25ClN4O4 MolecularWeight: 444.9113

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)C3CCC(CC3)N

Isomeric SMILES

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)C3CCC(CC3)N

InChI

InChI=1S/C22H25ClN4O4/c1-14(28)26(19-9-4-17(24)5-10-19)13-16-12-18(6-11-21(16)23)25-22(29)15-2-7-20(8-3-15)27(30)31/h2-3,6-8,11-12,17,19H,4-5,9-10,13,24H2,1H3,(H,25,29)