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

Systemtic Name: N-[2-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromo-benzamide CAS Name: N-[2-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-2-bromobenzamide IUPAC Name: N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromobenzamide Traditional Name: N-[2-[[(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=C2NC(=O)C3=CC=CC=C3Br)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=CC=C3Br)C4CCC(CC4)N

InChI

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