1-[(3S)-3-(2-chloranyl-7-methyl-quinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-3-(2-chloranyl-7-methyl-quinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-3-(2-chloro-7-methyl-3-quinolyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-3-(2-chloro-7-methyl-3-quinolinyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-3-(2-chloro-7-methylquinolin-3-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-5-(2-chloro-7-methyl-3-quinolyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]ethanone Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)C)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)[C@@H]3CC(=NN3C(=O)C)C4=CC=C(C=C4)OC)Cl

InChI

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