1-[(3-methylpyridin-4-yl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methylpyridin-4-yl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-methyl-4-pyridyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methyl-4-pyridinyl)-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methylpyridin-4-yl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-methyl-4-pyridyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C17H23N3S MolecularWeight: 301.44962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=C(C=NC=C2)C)N3CCCNCC3

Isomeric SMILES

CC1=CC=C(S1)C(C2=C(C=NC=C2)C)N3CCCNCC3

InChI

InChI=1S/C17H23N3S/c1-13-12-19-8-6-15(13)17(16-5-4-14(2)21-16)20-10-3-7-18-9-11-20/h4-6,8,12,17-18H,3,7,9-11H2,1-2H3