6-chloranyl-1-methyl-4-phenyl-3-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]quinolin-2-one

Systemtic Name: 6-chloranyl-1-methyl-4-phenyl-3-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]quinolin-2-one Openeye Name: 6-chloro-1-methyl-4-phenyl-3-[(3S)-2-propanoyl-3-(2-thienyl)-3,4-dihydropyrazol-5-yl]quinolin-2-one CAS Name: 6-chloro-1-methyl-3-[(3S)-2-(1-oxopropyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]-4-phenyl-2-quinolinone IUPAC Name: 6-chloro-1-methyl-4-phenyl-3-[(3S)-2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]quinolin-2-one Traditional Name: 6-chloro-1-methyl-4-phenyl-3-[(5S)-1-propionyl-5-(2-thienyl)-2-pyrazolin-3-yl]carbostyril Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Cl)N(C2=O)C)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CCC(=O)N1[C@@H](CC(=N1)C2=C(C3=C(C=CC(=C3)Cl)N(C2=O)C)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C26H22ClN3O2S/c1-3-23(31)30-21(22-10-7-13-33-22)15-19(28-30)25-24(16-8-5-4-6-9-16)18-14-17(27)11-12-20(18)29(2)26(25)32/h4-14,21H,3,15H2,1-2H3/t21-/m0/s1