N-[4-[[(2-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[4-[[(2-azanylcyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-bromanyl-benzamide Openeye Name: N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-bromo-benzamide CAS Name: N-[4-[[(2-aminocyclohexyl)-(3,3-dimethyl-1-oxobutyl)amino]methyl]phenyl]-2-bromobenzamide IUPAC Name: N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-bromobenzamide Traditional Name: N-[4-[[(2-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-2-bromo-benzamide Formula: C26H34BrN3O2 MolecularWeight: 500.47106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br)C3CCCCC3N

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Br)C3CCCCC3N

InChI

InChI=1S/C26H34BrN3O2/c1-26(2,3)16-24(31)30(23-11-7-6-10-22(23)28)17-18-12-14-19(15-13-18)29-25(32)20-8-4-5-9-21(20)27/h4-5,8-9,12-15,22-23H,6-7,10-11,16-17,28H2,1-3H3,(H,29,32)