4-(2-chloranyl-4-fluoranyl-phenyl)-7,7-dimethyl-2-pyridin-4-yl-1,4,6,8-tetrahydroquinazolin-5-one

Systemtic Name: 4-(2-chloranyl-4-fluoranyl-phenyl)-7,7-dimethyl-2-pyridin-4-yl-1,4,6,8-tetrahydroquinazolin-5-one Openeye Name: 4-(2-chloro-4-fluoro-phenyl)-7,7-dimethyl-2-(4-pyridyl)-1,4,6,8-tetrahydroquinazolin-5-one CAS Name: 4-(2-chloro-4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-1,4,6,8-tetrahydroquinazolin-5-one IUPAC Name: 4-(2-chloro-4-fluorophenyl)-7,7-dimethyl-2-pyridin-4-yl-1,4,6,8-tetrahydroquinazolin-5-one Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-7,7-dimethyl-2-(4-pyridyl)-1,4,6,8-tetrahydroquinazolin-5-one Formula: C21H19ClFN3O MolecularWeight: 383.846463

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N=C(N2)C3=CC=NC=C3)C4=C(C=C(C=C4)F)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(N=C(N2)C3=CC=NC=C3)C4=C(C=C(C=C4)F)Cl)C(=O)C1)C

InChI

InChI=1S/C21H19ClFN3O/c1-21(2)10-16-18(17(27)11-21)19(14-4-3-13(23)9-15(14)22)26-20(25-16)12-5-7-24-8-6-12/h3-9,19H,10-11H2,1-2H3,(H,25,26)