(5-bromanylpyridin-3-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C19H22BrN3O MolecularWeight: 388.30148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O/c1-15-3-5-16(6-4-15)14-22-7-2-8-23(10-9-22)19(24)17-11-18(20)13-21-12-17/h3-6,11-13H,2,7-10,14H2,1H3