4-[3-(1-benzothiophen-7-yl)-2,5-dihydropyrrol-1-yl]-1-cyclohexyl-2-pyridin-2-yl-butan-1-one

Systemtic Name: 4-[3-(1-benzothiophen-7-yl)-2,5-dihydropyrrol-1-yl]-1-cyclohexyl-2-pyridin-2-yl-butan-1-one Openeye Name: 4-[3-(benzothiophen-7-yl)-2,5-dihydropyrrol-1-yl]-1-cyclohexyl-2-(2-pyridyl)butan-1-one CAS Name: 4-[3-(1-benzothiophen-7-yl)-2,5-dihydropyrrol-1-yl]-1-cyclohexyl-2-(2-pyridinyl)-1-butanone IUPAC Name: 4-[3-(1-benzothiophen-7-yl)-2,5-dihydropyrrol-1-yl]-1-cyclohexyl-2-pyridin-2-ylbutan-1-one Traditional Name: 4-[3-(benzothiophen-7-yl)-3-pyrrolin-1-yl]-1-cyclohexyl-2-(2-pyridyl)butan-1-one Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(CCN2CC=C(C2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)C(=O)C(CCN2CC=C(C2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

InChI

InChI=1S/C27H30N2OS/c30-26(20-7-2-1-3-8-20)24(25-11-4-5-15-28-25)13-17-29-16-12-22(19-29)23-10-6-9-21-14-18-31-27(21)23/h4-6,9-12,14-15,18,20,24H,1-3,7-8,13,16-17,19H2