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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]benzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]benzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]benzamide Formula: C27H34ClN3O2 MolecularWeight: 468.03076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)Cl)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)Cl)C4CCC(CC4)N

InChI

InChI=1S/C27H34ClN3O2/c28-25-16-13-23(30-26(32)19-7-3-1-4-8-19)17-21(25)18-31(24-14-11-22(29)12-15-24)27(33)20-9-5-2-6-10-20/h1,3-4,7-8,13,16-17,20,22,24H,2,5-6,9-12,14-15,18,29H2,(H,30,32)