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

Systemtic Name: 1-[(3S)-3-[(2-chloranyl-8-methyl-quinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-3-[(2-chloro-8-methyl-3-quinolyl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-3-[(2-chloro-8-methyl-3-quinolinyl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-3-[(2-chloro-8-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-5-[(2-chloro-8-methyl-3-quinolyl)methyl]-3-phenyl-2-pyrazolin-1-yl]propan-1-one Formula: C23H22ClN3O MolecularWeight: 391.89328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(CC(=N1)C2=CC=CC=C2)CC3=C(N=C4C(=CC=CC4=C3)C)Cl

Isomeric SMILES

CCC(=O)N1[C@H](CC(=N1)C2=CC=CC=C2)CC3=C(N=C4C(=CC=CC4=C3)C)Cl

InChI

InChI=1S/C23H22ClN3O/c1-3-21(28)27-19(14-20(26-27)16-9-5-4-6-10-16)13-18-12-17-11-7-8-15(2)22(17)25-23(18)24/h4-12,19H,3,13-14H2,1-2H3/t19-/m0/s1