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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NC(=CC=C2)Br)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC(=CC=C2)Br)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H25BrN4O2/c22-19-9-4-8-18(24-19)21(28)26-13-5-12-25(14-15-26)16-20(27)23-11-10-17-6-2-1-3-7-17/h1-4,6-9H,5,10-16H2,(H,23,27)