6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-oxidanyl-methyl]-4-(3,3-dimethylbut-1-ynyl)-1-methyl-quinolin-2-one

Systemtic Name: 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-oxidanyl-methyl]-4-(3,3-dimethylbut-1-ynyl)-1-methyl-quinolin-2-one Openeye Name: 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,3-dimethylbut-1-ynyl)-1-methyl-quinolin-2-one CAS Name: 6-[(4-chlorophenyl)-hydroxy-(3-methyl-4-imidazolyl)methyl]-4-(3,3-dimethylbut-1-ynyl)-1-methyl-2-quinolinone IUPAC Name: 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,3-dimethylbut-1-ynyl)-1-methylquinolin-2-one Traditional Name: 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3,3-dimethylbut-1-ynyl)-1-methyl-carbostyril Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC(=O)N(C2=C1C=C(C=C2)C(C3=CC=C(C=C3)Cl)(C4=CN=CN4C)O)C

Isomeric SMILES

CC(C)(C)C#CC1=CC(=O)N(C2=C1C=C(C=C2)C(C3=CC=C(C=C3)Cl)(C4=CN=CN4C)O)C

InChI

InChI=1S/C27H26ClN3O2/c1-26(2,3)13-12-18-14-25(32)31(5)23-11-8-20(15-22(18)23)27(33,24-16-29-17-30(24)4)19-6-9-21(28)10-7-19/h6-11,14-17,33H,1-5H3