4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-oxidanyl-2-pyridin-2-yl-butan-1-one

Systemtic Name: 4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-oxidanyl-2-pyridin-2-yl-butan-1-one Openeye Name: 4-[4-(benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-hydroxy-2-(2-pyridyl)butan-1-one CAS Name: 4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-hydroxy-2-(2-pyridinyl)-1-butanone IUPAC Name: 4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-hydroxy-2-pyridin-2-ylbutan-1-one Traditional Name: 4-[4-(benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-hydroxy-2-(2-pyridyl)butan-1-one Formula: C28H32N2O2S MolecularWeight: 460.63088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(CCN2CCC(=CC2)C3=CC=CC4=C3SC=C4)(C5=CC=CC=N5)O

Isomeric SMILES

C1CCC(CC1)C(=O)C(CCN2CCC(=CC2)C3=CC=CC4=C3SC=C4)(C5=CC=CC=N5)O

InChI

InChI=1S/C28H32N2O2S/c31-27(23-7-2-1-3-8-23)28(32,25-11-4-5-16-29-25)15-19-30-17-12-21(13-18-30)24-10-6-9-22-14-20-33-26(22)24/h4-6,9-12,14,16,20,23,32H,1-3,7-8,13,15,17-19H2