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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]cyclohexanecarboxamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]cyclohexanecarboxamide Formula: C27H40ClN3O2 MolecularWeight: 474.0784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4CCCCC4

InChI

InChI=1S/C27H40ClN3O2/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/h13,16-17,19-20,22,24H,1-12,14-15,18,29H2,(H,30,32)