6,6-dimethyl-2-[2-(4-pyridin-3-ylimidazol-1-yl)ethynyl]-7,8-dihydroquinolin-5-one

Systemtic Name: 6,6-dimethyl-2-[2-(4-pyridin-3-ylimidazol-1-yl)ethynyl]-7,8-dihydroquinolin-5-one Openeye Name: 6,6-dimethyl-2-[2-[4-(3-pyridyl)imidazol-1-yl]ethynyl]-7,8-dihydroquinolin-5-one CAS Name: 6,6-dimethyl-2-[2-[4-(3-pyridinyl)-1-imidazolyl]ethynyl]-7,8-dihydroquinolin-5-one IUPAC Name: 6,6-dimethyl-2-[2-(4-pyridin-3-ylimidazol-1-yl)ethynyl]-7,8-dihydroquinolin-5-one Traditional Name: 6,6-dimethyl-2-[2-[4-(3-pyridyl)imidazol-1-yl]ethynyl]-7,8-dihydroquinolin-5-one Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C1=O)C=CC(=N2)C#CN3C=C(N=C3)C4=CN=CC=C4)C

Isomeric SMILES

CC1(CCC2=C(C1=O)C=CC(=N2)C#CN3C=C(N=C3)C4=CN=CC=C4)C

InChI

InChI=1S/C21H18N4O/c1-21(2)9-7-18-17(20(21)26)6-5-16(24-18)8-11-25-13-19(23-14-25)15-4-3-10-22-12-15/h3-6,10,12-14H,7,9H2,1-2H3