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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-2-bromo-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]-2-bromobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-2-bromobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]-2-bromo-benzamide Formula: C28H27BrN4O2 MolecularWeight: 531.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Br)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H27BrN4O2/c29-26-7-2-1-6-25(26)27(34)32-23-5-3-4-20(16-23)18-33(24-14-12-22(31)13-15-24)28(35)21-10-8-19(17-30)9-11-21/h1-11,16,22,24H,12-15,18,31H2,(H,32,34)