1-[6-fluoranyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]carbonylpiperidine-4-carbonitrile

Systemtic Name: 1-[6-fluoranyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]carbonylpiperidine-4-carbonitrile Openeye Name: 1-[6-fluoro-2-(1-isopropylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile CAS Name: 1-[[6-fluoro-2-(1-propan-2-yl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile Traditional Name: 1-[6-fluoro-2-(1-isopropylpyrazol-4-yl)quinoline-4-carbonyl]isonipecotonitrile Formula: C22H22FN5O MolecularWeight: 391.441383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)N4CCC(CC4)C#N

Isomeric SMILES

CC(C)N1C=C(C=N1)C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)N4CCC(CC4)C#N

InChI

InChI=1S/C22H22FN5O/c1-14(2)28-13-16(12-25-28)21-10-19(18-9-17(23)3-4-20(18)26-21)22(29)27-7-5-15(11-24)6-8-27/h3-4,9-10,12-15H,5-8H2,1-2H3