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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-(4-cyanophenyl)carbonyl-amino]methyl]-4-chloranyl-phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[(4-cyanophenyl)-oxomethyl]amino]methyl]-4-chlorophenyl]-2-bromobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chlorophenyl]-2-bromobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide Formula: C28H26BrClN4O2 MolecularWeight: 565.88864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26BrClN4O2/c29-25-4-2-1-3-24(25)27(35)33-22-11-14-26(30)20(15-22)17-34(23-12-9-21(32)10-13-23)28(36)19-7-5-18(16-31)6-8-19/h1-8,11,14-15,21,23H,9-10,12-13,17,32H2,(H,33,35)