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

Systemtic Name: 4-[4-(1-benzothiophen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-pyridin-2-yl-butan-1-one Openeye Name: 4-[4-(benzothiophen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-(2-pyridyl)butan-1-one CAS Name: 4-[4-(1-benzothiophen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-(2-pyridinyl)-1-butanone IUPAC Name: 4-[4-(1-benzothiophen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-pyridin-2-ylbutan-1-one Traditional Name: 4-[4-(benzothiophen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexyl-2-(2-pyridyl)butan-1-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(CCN2CCC(=CC2)C3=CC4=CC=CC=C4S3)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(=O)C(CCN2CCC(=CC2)C3=CC4=CC=CC=C4S3)C5=CC=CC=N5

InChI

InChI=1S/C28H32N2OS/c31-28(22-8-2-1-3-9-22)24(25-11-6-7-16-29-25)15-19-30-17-13-21(14-18-30)27-20-23-10-4-5-12-26(23)32-27/h4-7,10-13,16,20,22,24H,1-3,8-9,14-15,17-19H2