1-[(3-methylpyridin-4-yl)-pyridin-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methylpyridin-4-yl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-methyl-4-pyridyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methyl-4-pyridinyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methylpyridin-4-yl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-methyl-4-pyridyl)-(2-pyridyl)methyl]-1,4-diazepane Formula: C17H22N4 MolecularWeight: 282.38338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC=CC=N2)N3CCCNCC3

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC=CC=N2)N3CCCNCC3

InChI

InChI=1S/C17H22N4/c1-14-13-19-9-6-15(14)17(16-5-2-3-8-20-16)21-11-4-7-18-10-12-21/h2-3,5-6,8-9,13,17-18H,4,7,10-12H2,1H3