2-[(6R,8aS)-6-[2-(3-cyanophenyl)ethynyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoranyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(6R,8aS)-6-[2-(3-cyanophenyl)ethynyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoranyl-pyridine-3-carbonitrile Openeye Name: 2-[(6R,8aS)-6-[2-(3-cyanophenyl)ethynyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoro-pyridine-3-carbonitrile CAS Name: 2-[(6R,8aS)-6-[2-(3-cyanophenyl)ethynyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoro-3-pyridinecarbonitrile IUPAC Name: 2-[(6R,8aS)-6-[2-(3-cyanophenyl)ethynyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile Traditional Name: 2-[(6R,8aS)-6-[2-(3-cyanophenyl)ethynyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoro-nicotinonitrile Formula: C22H18FN5 MolecularWeight: 371.410223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C1CN(CC2)C3=NC=C(C=C3C#N)F)C#CC4=CC(=CC=C4)C#N

Isomeric SMILES

C1C[C@@H](N2[C@@H]1CN(CC2)C3=NC=C(C=C3C#N)F)C#CC4=CC(=CC=C4)C#N

InChI

InChI=1S/C22H18FN5/c23-19-11-18(13-25)22(26-14-19)27-8-9-28-20(6-7-21(28)15-27)5-4-16-2-1-3-17(10-16)12-24/h1-3,10-11,14,20-21H,6-9,15H2/t20-,21-/m0/s1