(3-bromanyl-4-methoxy-phenyl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone Formula: C20H24BrN3O2 MolecularWeight: 418.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O2/c1-15-5-3-6-17(22-15)14-23-9-4-10-24(12-11-23)20(25)16-7-8-19(26-2)18(21)13-16/h3,5-8,13H,4,9-12,14H2,1-2H3