5-[(3S)-3-(2-chloranyl-6,7-dimethoxy-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-3-(2-chloranyl-6,7-dimethoxy-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-(2-chloro-6,7-dimethoxy-3-quinolyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-(2-chloro-6,7-dimethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-5-(2-chloro-6,7-dimethoxy-3-quinolyl)-3-phenyl-2-pyrazolin-1-yl]-5-keto-valerate Formula: C25H23ClN3O5- MolecularWeight: 480.92022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(N=C2C=C1OC)Cl)C3CC(=NN3C(=O)CCCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=CC(=C(N=C2C=C1OC)Cl)[C@@H]3CC(=NN3C(=O)CCCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3O5/c1-33-21-12-16-11-17(25(26)27-18(16)14-22(21)34-2)20-13-19(15-7-4-3-5-8-15)28-29(20)23(30)9-6-10-24(31)32/h3-5,7-8,11-12,14,20H,6,9-10,13H2,1-2H3,(H,31,32)/p-1/t20-/m0/s1