5-(1,2-dithiolan-3-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one

Systemtic Name: 5-(1,2-dithiolan-3-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Openeye Name: 5-(dithiolan-3-yl)-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]pentan-1-one CAS Name: 5-(3-dithiolanyl)-1-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]-1-pentanone IUPAC Name: 5-(dithiolan-3-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pentan-1-one Traditional Name: 5-(dithiolan-3-yl)-1-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]pentan-1-one Formula: C19H29N3OS2 MolecularWeight: 379.58306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC3=CC=CC=N3

InChI

InChI=1S/C19H29N3OS2/c23-19(8-2-1-7-18-9-15-24-25-18)22-12-5-11-21(13-14-22)16-17-6-3-4-10-20-17/h3-4,6,10,18H,1-2,5,7-9,11-16H2