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

Systemtic Name: N-[4-[[4-(6-bromanylpyridin-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(6-bromopyridine-2-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(6-bromo-2-pyridinyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(6-bromopyridine-2-carbonyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(6-bromopicolinoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C20H23BrN4O2 MolecularWeight: 431.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NC(=CC=C3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=NC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN4O2/c1-15(26)22-17-8-6-16(7-9-17)14-24-10-3-11-25(13-12-24)20(27)18-4-2-5-19(21)23-18/h2,4-9H,3,10-14H2,1H3,(H,22,26)