2-[4-(6-bromanylpyridin-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(6-bromanylpyridin-2-yl)carbonyl-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(6-bromopyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(6-bromo-2-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(6-bromopyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(6-bromopicolinoyl)-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C21H25BrN4O2 MolecularWeight: 445.3528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O2/c1-15-6-3-7-16(2)20(15)24-19(27)14-25-10-5-11-26(13-12-25)21(28)17-8-4-9-18(22)23-17/h3-4,6-9H,5,10-14H2,1-2H3,(H,24,27)