4-[3-(2-chloranyl-7-methoxy-quinolin-3-yl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(2-chloranyl-7-methoxy-quinolin-3-yl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]benzenecarbonitrile Openeye Name: 4-[2-acetyl-3-(2-chloro-7-methoxy-3-quinolyl)-3,4-dihydropyrazol-5-yl]benzonitrile CAS Name: 4-[2-acetyl-3-(2-chloro-7-methoxy-3-quinolinyl)-3,4-dihydropyrazol-5-yl]benzonitrile IUPAC Name: 4-[2-acetyl-3-(2-chloro-7-methoxyquinolin-3-yl)-3,4-dihydropyrazol-5-yl]benzonitrile Traditional Name: 4-[1-acetyl-5-(2-chloro-7-methoxy-3-quinolyl)-2-pyrazolin-3-yl]benzonitrile Formula: C22H17ClN4O2 MolecularWeight: 404.84898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)C#N)C3=C(N=C4C=C(C=CC4=C3)OC)Cl

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)C#N)C3=C(N=C4C=C(C=CC4=C3)OC)Cl

InChI

InChI=1S/C22H17ClN4O2/c1-13(28)27-21(11-20(26-27)15-5-3-14(12-24)4-6-15)18-9-16-7-8-17(29-2)10-19(16)25-22(18)23/h3-10,21H,11H2,1-2H3