2-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(3-bromo-4-methoxybenzoyl)-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C23H28BrN3O3 MolecularWeight: 474.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C23H28BrN3O3/c1-16-6-4-7-17(2)22(16)25-21(28)15-26-10-5-11-27(13-12-26)23(29)18-8-9-20(30-3)19(24)14-18/h4,6-9,14H,5,10-13,15H2,1-3H3,(H,25,28)