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

Systemtic Name: 4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-(oxan-4-yl)-2-pyridin-2-yl-butan-1-one Openeye Name: 4-[4-(benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-pyridyl)-1-tetrahydropyran-4-yl-butan-1-one CAS Name: 4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-oxanyl)-2-(2-pyridinyl)-1-butanone IUPAC Name: 4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-(oxan-4-yl)-2-pyridin-2-ylbutan-1-one Traditional Name: 4-[4-(benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-pyridyl)-1-tetrahydropyran-4-yl-butan-1-one Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(=O)C(CCN2CCC(=CC2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

Isomeric SMILES

C1COCCC1C(=O)C(CCN2CCC(=CC2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

InChI

InChI=1S/C27H30N2O2S/c30-26(21-10-17-31-18-11-21)24(25-6-1-2-13-28-25)9-16-29-14-7-20(8-15-29)23-5-3-4-22-12-19-32-27(22)23/h1-7,12-13,19,21,24H,8-11,14-18H2