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

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide CAS Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-2-bromobenzamide IUPAC Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-2-bromobenzamide Traditional Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]-2-bromo-benzamide Formula: C22H25BrClN3O2 MolecularWeight: 478.8098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2Br)Cl)C3CCC(CC3)N

Isomeric SMILES

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2Br)Cl)C3CCC(CC3)N

InChI

InChI=1S/C22H25BrClN3O2/c1-14(28)27(18-9-6-16(25)7-10-18)13-15-12-17(8-11-21(15)24)26-22(29)19-4-2-3-5-20(19)23/h2-5,8,11-12,16,18H,6-7,9-10,13,25H2,1H3,(H,26,29)