2-[4-[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[6-(3-bromophenyl)-2-methyl-pyridine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[6-(3-bromophenyl)-2-methyl-nicotinoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C22H27BrN4O2 MolecularWeight: 459.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)N3CCCN(CC3)CC(=O)N(C)C

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)N3CCCN(CC3)CC(=O)N(C)C

InChI

InChI=1S/C22H27BrN4O2/c1-16-19(8-9-20(24-16)17-6-4-7-18(23)14-17)22(29)27-11-5-10-26(12-13-27)15-21(28)25(2)3/h4,6-9,14H,5,10-13,15H2,1-3H3