5-[(3S)-3-(2-chloranyl-7-methoxy-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-3-(2-chloranyl-7-methoxy-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-(2-chloro-7-methoxy-3-quinolyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-(2-chloro-7-methoxy-3-quinolinyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(2-chloro-7-methoxyquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-5-(2-chloro-7-methoxy-3-quinolyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C25H23ClN3O4- MolecularWeight: 464.92082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=C(C=CC4=C3)OC)Cl)C(=O)CCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=C(N=C4C=C(C=CC4=C3)OC)Cl)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C25H24ClN3O4/c1-15-6-8-16(9-7-15)21-14-22(29(28-21)23(30)4-3-5-24(31)32)19-12-17-10-11-18(33-2)13-20(17)27-25(19)26/h6-13,22H,3-5,14H2,1-2H3,(H,31,32)/p-1/t22-/m0/s1