7-[2-[3,4-bis(fluoranyl)phenyl]-3-pyridin-4-yl-pyrrol-1-yl]-2-(4-tert-butylphenyl)-1,2,3,5,6,8a-hexahydroindolizine

Systemtic Name: 7-[2-[3,4-bis(fluoranyl)phenyl]-3-pyridin-4-yl-pyrrol-1-yl]-2-(4-tert-butylphenyl)-1,2,3,5,6,8a-hexahydroindolizine Openeye Name: 2-(4-tert-butylphenyl)-7-[2-(3,4-difluorophenyl)-3-(4-pyridyl)pyrrol-1-yl]-1,2,3,5,6,8a-hexahydroindolizine CAS Name: 2-(4-tert-butylphenyl)-7-[2-(3,4-difluorophenyl)-3-pyridin-4-yl-1-pyrrolyl]-1,2,3,5,6,8a-hexahydroindolizine IUPAC Name: 2-(4-tert-butylphenyl)-7-[2-(3,4-difluorophenyl)-3-pyridin-4-ylpyrrol-1-yl]-1,2,3,5,6,8a-hexahydroindolizine Traditional Name: 2-(4-tert-butylphenyl)-7-[2-(3,4-difluorophenyl)-3-(4-pyridyl)pyrrol-1-yl]-1,2,3,5,6,8a-hexahydroindolizine Formula: C33H33F2N3 MolecularWeight: 509.632026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2CC3C=C(CCN3C2)N4C=CC(=C4C5=CC(=C(C=C5)F)F)C6=CC=NC=C6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2CC3C=C(CCN3C2)N4C=CC(=C4C5=CC(=C(C=C5)F)F)C6=CC=NC=C6

InChI

InChI=1S/C33H33F2N3/c1-33(2,3)26-7-4-22(5-8-26)25-18-28-20-27(12-16-37(28)21-25)38-17-13-29(23-10-14-36-15-11-23)32(38)24-6-9-30(34)31(35)19-24/h4-11,13-15,17,19-20,25,28H,12,16,18,21H2,1-3H3