1-[1-(3-methylthiophen-2-yl)-2-pyridin-2-yl-ethyl]-1,4-diazepane

Systemtic Name: 1-[1-(3-methylthiophen-2-yl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(3-methyl-2-thienyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(3-methyl-2-thiophenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(3-methylthiophen-2-yl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-(3-methyl-2-thienyl)-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C17H23N3S MolecularWeight: 301.44962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(CC2=CC=CC=N2)N3CCCNCC3

Isomeric SMILES

CC1=C(SC=C1)C(CC2=CC=CC=N2)N3CCCNCC3

InChI

InChI=1S/C17H23N3S/c1-14-6-12-21-17(14)16(13-15-5-2-3-8-19-15)20-10-4-7-18-9-11-20/h2-3,5-6,8,12,16,18H,4,7,9-11,13H2,1H3