N-(5-bromanylpyridin-2-yl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]acetamide Formula: C20H25BrN4O MolecularWeight: 417.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C20H25BrN4O/c1-16-5-2-3-6-17(16)14-24-9-4-10-25(12-11-24)15-20(26)23-19-8-7-18(21)13-22-19/h2-3,5-8,13H,4,9-12,14-15H2,1H3,(H,22,23,26)