3-(3,4-dimethylphenyl)carbonyl-1-(2H-1,2,3-triazol-4-ylmethyl)quinolin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)carbonyl-1-(2H-1,2,3-triazol-4-ylmethyl)quinolin-4-one Openeye Name: 3-(3,4-dimethylbenzoyl)-1-(2H-triazol-4-ylmethyl)quinolin-4-one CAS Name: 3-[(3,4-dimethylphenyl)-oxomethyl]-1-(2H-triazol-4-ylmethyl)-4-quinolinone IUPAC Name: 3-(3,4-dimethylbenzoyl)-1-(2H-triazol-4-ylmethyl)quinolin-4-one Traditional Name: 3-(3,4-dimethylbenzoyl)-1-(2H-triazol-4-ylmethyl)-4-quinolone Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CN(C3=CC=CC=C3C2=O)CC4=NNN=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CN(C3=CC=CC=C3C2=O)CC4=NNN=C4)C

InChI

InChI=1S/C21H18N4O2/c1-13-7-8-15(9-14(13)2)20(26)18-12-25(11-16-10-22-24-23-16)19-6-4-3-5-17(19)21(18)27/h3-10,12H,11H2,1-2H3,(H,22,23,24)