methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 2-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 2-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H27N3O2/c1-17-7-5-9-19(22-17)16-24-12-6-11-23(13-14-24)15-18-8-3-4-10-20(18)21(25)26-2/h3-5,7-10H,6,11-16H2,1-2H3