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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromo-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-2-bromobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromo-benzamide Formula: C27H34BrN3O2 MolecularWeight: 512.48176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34BrN3O2/c28-25-12-5-4-11-24(25)26(32)30-22-10-6-7-19(17-22)18-31(23-15-13-21(29)14-16-23)27(33)20-8-2-1-3-9-20/h4-7,10-12,17,20-21,23H,1-3,8-9,13-16,18,29H2,(H,30,32)