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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-2-bromo-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-2-bromobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-2-bromo-benzamide Formula: C27H28BrN3O2 MolecularWeight: 506.43412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28BrN3O2/c28-23-14-5-4-13-22(23)26(32)30-21-12-8-9-19(17-21)18-31(25-16-7-6-15-24(25)29)27(33)20-10-2-1-3-11-20/h1-5,8-14,17,24-25H,6-7,15-16,18,29H2,(H,30,32)