6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-4-[3-(3-methylbut-1-ynyl)phenyl]quinolin-2-one

Systemtic Name: 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-4-[3-(3-methylbut-1-ynyl)phenyl]quinolin-2-one Openeye Name: 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-4-[3-(3-methylbut-1-ynyl)phenyl]quinolin-2-one CAS Name: 6-[(4-chlorophenyl)-(3-methyl-4-imidazolyl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-4-[3-(3-methylbut-1-ynyl)phenyl]-2-quinolinone IUPAC Name: 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-4-[3-(3-methylbut-1-ynyl)phenyl]quinolin-2-one Traditional Name: 6-[(4-chlorophenyl)-(3-methylimidazol-4-yl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-4-[3-(3-methylbut-1-ynyl)phenyl]carbostyril Formula: C34H29ClN6O MolecularWeight: 573.08666

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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(C4=CC=C(C=C4)Cl)(C5=CN=CN5C)N6C=NC=N6)C

Isomeric SMILES

CC(C)C#CC1=CC(=CC=C1)C2=CC(=O)N(C3=C2C=C(C=C3)C(C4=CC=C(C=C4)Cl)(C5=CN=CN5C)N6C=NC=N6)C

InChI

InChI=1S/C34H29ClN6O/c1-23(2)8-9-24-6-5-7-25(16-24)29-18-33(42)40(4)31-15-12-27(17-30(29)31)34(41-22-37-20-38-41,32-19-36-21-39(32)3)26-10-13-28(35)14-11-26/h5-7,10-23H,1-4H3