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

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromo-benzamide CAS Name: N-[4-[[(2-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-2-bromobenzamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-2-bromobenzamide Traditional Name: N-[4-[[(2-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=C(C=C2)NC(=O)C3=CC=CC=C3Br)C4CCCCC4N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br)C4CCCCC4N

InChI

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