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

Systemtic Name: 5-[(3S)-3-[(2-chloranyl-8-methyl-quinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-[(2-chloro-8-methyl-3-quinolyl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-[(2-chloro-8-methyl-3-quinolinyl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-[(2-chloro-8-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-5-[(2-chloro-8-methyl-3-quinolyl)methyl]-3-phenyl-2-pyrazolin-1-yl]-5-keto-valerate Formula: C25H23ClN3O3- MolecularWeight: 448.92142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)CC3CC(=NN3C(=O)CCCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O3/c1-16-7-5-10-18-13-19(25(26)27-24(16)18)14-20-15-21(17-8-3-2-4-9-17)28-29(20)22(30)11-6-12-23(31)32/h2-5,7-10,13,20H,6,11-12,14-15H2,1H3,(H,31,32)/p-1/t20-/m0/s1