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

Systemtic Name: 4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridin-2-yl-1-pyridin-4-yl-butan-1-one Openeye Name: 4-[4-(benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-pyridyl)-1-(4-pyridyl)butan-1-one CAS Name: 4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-pyridinyl)-1-pyridin-4-yl-1-butanone IUPAC Name: 4-[4-(1-benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridin-2-yl-1-pyridin-4-ylbutan-1-one Traditional Name: 4-[4-(benzothiophen-7-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(2-pyridyl)-1-(4-pyridyl)butan-1-one Formula: C27H25N3OS MolecularWeight: 439.5719

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC3=C2SC=C3)CCC(C4=CC=CC=N4)C(=O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CC=C1C2=CC=CC3=C2SC=C3)CCC(C4=CC=CC=N4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C27H25N3OS/c31-26(21-7-14-28-15-8-21)24(25-6-1-2-13-29-25)11-18-30-16-9-20(10-17-30)23-5-3-4-22-12-19-32-27(22)23/h1-9,12-15,19,24H,10-11,16-18H2