6-(4-chlorophenyl)carbonyl-1-methyl-4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]quinolin-2-one

Systemtic Name: 6-(4-chlorophenyl)carbonyl-1-methyl-4-[3-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]quinolin-2-one Openeye Name: 6-(4-chlorobenzoyl)-4-[3-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-1-methyl-quinolin-2-one CAS Name: 6-[(4-chlorophenyl)-oxomethyl]-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1-methyl-2-quinolinone IUPAC Name: 6-(4-chlorobenzoyl)-4-[3-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1-methylquinolin-2-one Traditional Name: 6-(4-chlorobenzoyl)-4-[3-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]-1-methyl-carbostyril Formula: C28H22ClNO3 MolecularWeight: 455.93218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=CC=C1)C2=CC(=O)N(C3=C2C=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)C)O

Isomeric SMILES

CC(C)(C#CC1=CC(=CC=C1)C2=CC(=O)N(C3=C2C=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)C)O

InChI

InChI=1S/C28H22ClNO3/c1-28(2,33)14-13-18-5-4-6-20(15-18)23-17-26(31)30(3)25-12-9-21(16-24(23)25)27(32)19-7-10-22(29)11-8-19/h4-12,15-17,33H,1-3H3