1-[(3S)-3-[(2-chloranyl-8-methyl-quinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-3-[(2-chloranyl-8-methyl-quinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-3-[(2-chloro-8-methyl-3-quinolyl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-3-[(2-chloro-8-methyl-3-quinolinyl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-3-[(2-chloro-8-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-5-[(2-chloro-8-methyl-3-quinolyl)methyl]-3-phenyl-2-pyrazolin-1-yl]ethanone Formula: C22H20ClN3O MolecularWeight: 377.8667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)CC3CC(=NN3C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)C[C@H]3CC(=NN3C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O/c1-14-7-6-10-17-11-18(22(23)24-21(14)17)12-19-13-20(25-26(19)15(2)27)16-8-4-3-5-9-16/h3-11,19H,12-13H2,1-2H3/t19-/m0/s1