6-thiophen-2-yl-4-[(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)methyl]-1,2-diazinan-3-one

Systemtic Name: 6-thiophen-2-yl-4-[(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)methyl]-1,2-diazinan-3-one Openeye Name: 6-(2-thienyl)-4-[(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)methyl]hexahydropyridazin-3-one CAS Name: 6-thiophen-2-yl-4-[(2,3,4-trimethoxy-1-cyclohexa-1,3-dienyl)methyl]-3-diazinanone IUPAC Name: 6-thiophen-2-yl-4-[(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)methyl]diazinan-3-one Traditional Name: 6-(2-thienyl)-4-[(2,3,4-trimethoxycyclohexa-1,3-dien-1-yl)methyl]hexahydropyridazin-3-one Formula: C18H24N2O4S MolecularWeight: 364.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(CC1)CC2CC(NNC2=O)C3=CC=CS3)OC)OC

Isomeric SMILES

COC1=C(C(=C(CC1)CC2CC(NNC2=O)C3=CC=CS3)OC)OC

InChI

InChI=1S/C18H24N2O4S/c1-22-14-7-6-11(16(23-2)17(14)24-3)9-12-10-13(19-20-18(12)21)15-5-4-8-25-15/h4-5,8,12-13,19H,6-7,9-10H2,1-3H3,(H,20,21)