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

Systemtic Name: 6-(4-chlorophenyl)carbonyl-1-methyl-4-[3-(4-oxidanylbut-1-ynyl)phenyl]quinolin-2-one Openeye Name: 6-(4-chlorobenzoyl)-4-[3-(4-hydroxybut-1-ynyl)phenyl]-1-methyl-quinolin-2-one CAS Name: 6-[(4-chlorophenyl)-oxomethyl]-4-[3-(4-hydroxybut-1-ynyl)phenyl]-1-methyl-2-quinolinone IUPAC Name: 6-(4-chlorobenzoyl)-4-[3-(4-hydroxybut-1-ynyl)phenyl]-1-methylquinolin-2-one Traditional Name: 6-(4-chlorobenzoyl)-4-[3-(4-hydroxybut-1-ynyl)phenyl]-1-methyl-carbostyril Formula: C27H20ClNO3 MolecularWeight: 441.9056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C(=CC1=O)C4=CC=CC(=C4)C#CCCO

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C(=CC1=O)C4=CC=CC(=C4)C#CCCO

InChI

InChI=1S/C27H20ClNO3/c1-29-25-13-10-21(27(32)19-8-11-22(28)12-9-19)16-24(25)23(17-26(29)31)20-7-4-6-18(15-20)5-2-3-14-30/h4,6-13,15-17,30H,3,14H2,1H3