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

Systemtic Name: 1-[(2-methylphenyl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[o-tolyl(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2-methylphenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-methylphenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[o-tolyl(3-pyridyl)methyl]-1,4-diazepane Formula: C18H23N3 MolecularWeight: 281.39532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CN=CC=C2)N3CCCNCC3

Isomeric SMILES

CC1=CC=CC=C1C(C2=CN=CC=C2)N3CCCNCC3

InChI

InChI=1S/C18H23N3/c1-15-6-2-3-8-17(15)18(16-7-4-9-20-14-16)21-12-5-10-19-11-13-21/h2-4,6-9,14,18-19H,5,10-13H2,1H3