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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-4-nitro-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-benzoylamino]methyl]-4-chlorophenyl]-4-nitrobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-benzoylamino]methyl]-4-chlorophenyl]-4-nitrobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-benzoyl-amino]methyl]-4-chloro-phenyl]-4-nitro-benzamide Formula: C27H27ClN4O4 MolecularWeight: 506.98068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O4/c28-25-15-10-22(30-26(33)18-6-11-24(12-7-18)32(35)36)16-20(25)17-31(23-13-8-21(29)9-14-23)27(34)19-4-2-1-3-5-19/h1-7,10-12,15-16,21,23H,8-9,13-14,17,29H2,(H,30,33)