1-[7-chloranyl-2-(1-ethylpyrazol-4-yl)quinolin-4-yl]carbonylpiperidine-4-carbonitrile

Systemtic Name: 1-[7-chloranyl-2-(1-ethylpyrazol-4-yl)quinolin-4-yl]carbonylpiperidine-4-carbonitrile Openeye Name: 1-[7-chloro-2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile CAS Name: 1-[[7-chloro-2-(1-ethyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[7-chloro-2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile Traditional Name: 1-[7-chloro-2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]isonipecotonitrile Formula: C21H20ClN5O MolecularWeight: 393.8694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=C(C=CC(=C3)Cl)C(=C2)C(=O)N4CCC(CC4)C#N

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=C(C=CC(=C3)Cl)C(=C2)C(=O)N4CCC(CC4)C#N

InChI

InChI=1S/C21H20ClN5O/c1-2-27-13-15(12-24-27)19-10-18(17-4-3-16(22)9-20(17)25-19)21(28)26-7-5-14(11-23)6-8-26/h3-4,9-10,12-14H,2,5-8H2,1H3