5-(3,5-dimethoxy-4-methyl-thiophen-2-yl)-1-pyridin-2-yl-1,4-diazepane

Systemtic Name: 5-(3,5-dimethoxy-4-methyl-thiophen-2-yl)-1-pyridin-2-yl-1,4-diazepane Openeye Name: 5-(3,5-dimethoxy-4-methyl-2-thienyl)-1-(2-pyridyl)-1,4-diazepane CAS Name: 5-(3,5-dimethoxy-4-methyl-2-thiophenyl)-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 5-(3,5-dimethoxy-4-methylthiophen-2-yl)-1-pyridin-2-yl-1,4-diazepane Traditional Name: 5-(3,5-dimethoxy-4-methyl-2-thienyl)-1-(2-pyridyl)-1,4-diazepane Formula: C17H23N3O2S MolecularWeight: 333.44842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1OC)C2CCN(CCN2)C3=CC=CC=N3)OC

Isomeric SMILES

CC1=C(SC(=C1OC)C2CCN(CCN2)C3=CC=CC=N3)OC

InChI

InChI=1S/C17H23N3O2S/c1-12-15(21-2)16(23-17(12)22-3)13-7-10-20(11-9-18-13)14-6-4-5-8-19-14/h4-6,8,13,18H,7,9-11H2,1-3H3