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

Systemtic Name: 2-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(3-bromo-4-methoxybenzoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[4-(3-bromo-4-methoxy-benzoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C25H32BrN3O3 MolecularWeight: 502.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C25H32BrN3O3/c1-4-18-8-6-9-19(5-2)24(18)27-23(30)17-28-12-7-13-29(15-14-28)25(31)20-10-11-22(32-3)21(26)16-20/h6,8-11,16H,4-5,7,12-15,17H2,1-3H3,(H,27,30)