2-[(6R,9aS)-6-[2-(3-chlorophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoranyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(6R,9aS)-6-[2-(3-chlorophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoranyl-pyridine-3-carbonitrile Openeye Name: 2-[(6R,9aS)-6-[2-(3-chlorophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-pyridine-3-carbonitrile CAS Name: 2-[(6R,9aS)-6-[2-(3-chlorophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-3-pyridinecarbonitrile IUPAC Name: 2-[(6R,9aS)-6-[2-(3-chlorophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile Traditional Name: 2-[(6R,9aS)-6-[2-(3-chlorophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-nicotinonitrile Formula: C22H20ClFN4 MolecularWeight: 394.872403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CCN2C(C1)C#CC3=CC(=CC=C3)Cl)C4=NC=C(C=C4C#N)F

Isomeric SMILES

C1C[C@H]2CN(CCN2[C@H](C1)C#CC3=CC(=CC=C3)Cl)C4=NC=C(C=C4C#N)F

InChI

InChI=1S/C22H20ClFN4/c23-18-4-1-3-16(11-18)7-8-20-5-2-6-21-15-27(9-10-28(20)21)22-17(13-25)12-19(24)14-26-22/h1,3-4,11-12,14,20-21H,2,5-6,9-10,15H2/t20-,21+/m1/s1