N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]-4-chloranyl-phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]-4-chlorophenyl]-2-bromobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chlorophenyl]-2-bromobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide Formula: C27H33BrClN3O2 MolecularWeight: 546.92682

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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=C3Br)Cl)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3Br)Cl)C4CCC(CC4)N

InChI

InChI=1S/C27H33BrClN3O2/c28-24-9-5-4-8-23(24)26(33)31-21-12-15-25(29)19(16-21)17-32(22-13-10-20(30)11-14-22)27(34)18-6-2-1-3-7-18/h4-5,8-9,12,15-16,18,20,22H,1-3,6-7,10-11,13-14,17,30H2,(H,31,33)