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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-3-chloranyl-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-3-chloro-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-3-chlorobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-3-chloro-benzamide Formula: C27H33Cl2N3O2 MolecularWeight: 502.47582

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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)Cl)C4CCC(CC4)N

Isomeric SMILES

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

InChI

InChI=1S/C27H33Cl2N3O2/c28-21-8-4-7-19(15-21)26(33)31-23-11-14-25(29)20(16-23)17-32(24-12-9-22(30)10-13-24)27(34)18-5-2-1-3-6-18/h4,7-8,11,14-16,18,22,24H,1-3,5-6,9-10,12-13,17,30H2,(H,31,33)