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

Systemtic Name: 1-[(4-methylthiophen-2-yl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-methyl-2-thienyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methyl-2-thiophenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylthiophen-2-yl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-methyl-2-thienyl)-(3-pyridyl)methyl]-1,4-diazepane Formula: C16H21N3S MolecularWeight: 287.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CN=CC=C2)N3CCCNCC3

Isomeric SMILES

CC1=CSC(=C1)C(C2=CN=CC=C2)N3CCCNCC3

InChI

InChI=1S/C16H21N3S/c1-13-10-15(20-12-13)16(14-4-2-5-18-11-14)19-8-3-6-17-7-9-19/h2,4-5,10-12,16-17H,3,6-9H2,1H3