1-[(3S)-3-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-3-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-3-(2-chloro-6-ethoxy-3-quinolyl)-5-phenyl-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-3-(2-chloro-6-ethoxy-3-quinolinyl)-5-phenyl-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-3-(2-chloro-6-ethoxyquinolin-3-yl)-5-phenyl-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-5-(2-chloro-6-ethoxy-3-quinolyl)-3-phenyl-3-pyrazolin-1-yl]ethanone Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C3C=C(NN3C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=CC(=C(N=C2C=C1)Cl)[C@@H]3C=C(NN3C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O2/c1-3-28-17-9-10-19-16(11-17)12-18(22(23)24-19)21-13-20(25-26(21)14(2)27)15-7-5-4-6-8-15/h4-13,21,25H,3H2,1-2H3/t21-/m0/s1