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

Systemtic Name: 4-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cycloheptyl-2-pyridin-2-yl-butan-1-one Openeye Name: 4-[4-(benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cycloheptyl-2-(2-pyridyl)butan-1-one CAS Name: 4-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cycloheptyl-2-(2-pyridinyl)-1-butanone IUPAC Name: 4-[4-(1-benzothiophen-7-yl)-2,3-dihydropyrrol-1-yl]-1-cycloheptyl-2-pyridin-2-ylbutan-1-one Traditional Name: 4-[3-(benzothiophen-7-yl)-2-pyrrolin-1-yl]-1-cycloheptyl-2-(2-pyridyl)butan-1-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)C(CCN2CCC(=C2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CCCC(CC1)C(=O)C(CCN2CCC(=C2)C3=CC=CC4=C3SC=C4)C5=CC=CC=N5

InChI

InChI=1S/C28H32N2OS/c31-27(21-8-3-1-2-4-9-21)25(26-12-5-6-16-29-26)14-18-30-17-13-23(20-30)24-11-7-10-22-15-19-32-28(22)24/h5-7,10-12,15-16,19-21,25H,1-4,8-9,13-14,17-18H2