1-[(3S)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]butan-1-one

Systemtic Name: 1-[(3S)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]butan-1-one Openeye Name: 1-[(3S)-3-(2-chloro-8-methyl-3-quinolyl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]butan-1-one CAS Name: 1-[(3S)-3-(2-chloro-8-methyl-3-quinolinyl)-5-(2-furanyl)-3,4-dihydropyrazol-2-yl]-1-butanone IUPAC Name: 1-[(3S)-3-(2-chloro-8-methylquinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]butan-1-one Traditional Name: 1-[(5S)-5-(2-chloro-8-methyl-3-quinolyl)-3-(2-furyl)-2-pyrazolin-1-yl]butan-1-one Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CC(=N1)C2=CC=CO2)C3=C(N=C4C(=CC=CC4=C3)C)Cl

Isomeric SMILES

CCCC(=O)N1[C@@H](CC(=N1)C2=CC=CO2)C3=C(N=C4C(=CC=CC4=C3)C)Cl

InChI

InChI=1S/C21H20ClN3O2/c1-3-6-19(26)25-17(12-16(24-25)18-9-5-10-27-18)15-11-14-8-4-7-13(2)20(14)23-21(15)22/h4-5,7-11,17H,3,6,12H2,1-2H3/t17-/m0/s1