1-[7-chloranyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]carbonylpiperidine-3-carbonitrile

Systemtic Name: 1-[7-chloranyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]carbonylpiperidine-3-carbonitrile Openeye Name: 1-[7-chloro-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile CAS Name: 1-[[7-chloro-2-(1H-pyrazol-4-yl)-4-quinolinyl]-oxomethyl]-3-piperidinecarbonitrile IUPAC Name: 1-[7-chloro-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile Traditional Name: 1-[7-chloro-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]nipecotonitrile Formula: C19H16ClN5O MolecularWeight: 365.81624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=NC3=C2C=CC(=C3)Cl)C4=CNN=C4)C#N

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=NC3=C2C=CC(=C3)Cl)C4=CNN=C4)C#N

InChI

InChI=1S/C19H16ClN5O/c20-14-3-4-15-16(19(26)25-5-1-2-12(8-21)11-25)7-17(24-18(15)6-14)13-9-22-23-10-13/h3-4,6-7,9-10,12H,1-2,5,11H2,(H,22,23)