1-[(6-methylpyridin-2-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(6-methylpyridin-2-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(6-methyl-2-pyridyl)methyl]-4-(3-thienylmethyl)-1,4-diazepane CAS Name: 1-[(6-methyl-2-pyridinyl)methyl]-4-(3-thiophenylmethyl)-1,4-diazepane IUPAC Name: 1-[(6-methylpyridin-2-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[(6-methyl-2-pyridyl)methyl]-4-(3-thenyl)-1,4-diazepane Formula: C17H23N3S MolecularWeight: 301.44962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=CSC=C3

InChI

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