1-[(5-ethylpyridin-2-yl)-pyridin-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-pyridin-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-ethyl-2-pyridyl)-(2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-ethyl-2-pyridinyl)-(2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-ethylpyridin-2-yl)-pyridin-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-ethyl-2-pyridyl)-(2-pyridyl)methyl]-1,4-diazepane Formula: C18H24N4 MolecularWeight: 296.40996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=CC=N2)N3CCCNCC3

InChI

InChI=1S/C18H24N4/c1-2-15-7-8-17(21-14-15)18(16-6-3-4-10-20-16)22-12-5-9-19-11-13-22/h3-4,6-8,10,14,18-19H,2,5,9,11-13H2,1H3