1-[(3S)-3-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-3-(2-chloranyl-6-ethoxy-quinolin-3-yl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-3-(2-chloro-6-ethoxy-3-quinolyl)-5-(p-tolyl)-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-3-(2-chloro-6-ethoxy-3-quinolinyl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-3-(2-chloro-6-ethoxyquinolin-3-yl)-5-(4-methylphenyl)-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-5-(2-chloro-6-ethoxy-3-quinolyl)-3-(p-tolyl)-3-pyrazolin-1-yl]ethanone Formula: C23H22ClN3O2 MolecularWeight: 407.89268

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O2/c1-4-29-18-9-10-20-17(11-18)12-19(23(24)25-20)22-13-21(26-27(22)15(3)28)16-7-5-14(2)6-8-16/h5-13,22,26H,4H2,1-3H3/t22-/m0/s1