4-(2-chloranyl-4-fluoranyl-phenyl)-7,7-dimethyl-2-pyridin-3-yl-1,4,6,8-tetrahydroquinazolin-5-one

Systemtic Name: 4-(2-chloranyl-4-fluoranyl-phenyl)-7,7-dimethyl-2-pyridin-3-yl-1,4,6,8-tetrahydroquinazolin-5-one Openeye Name: 4-(2-chloro-4-fluoro-phenyl)-7,7-dimethyl-2-(3-pyridyl)-1,4,6,8-tetrahydroquinazolin-5-one CAS Name: 4-(2-chloro-4-fluorophenyl)-7,7-dimethyl-2-(3-pyridinyl)-1,4,6,8-tetrahydroquinazolin-5-one IUPAC Name: 4-(2-chloro-4-fluorophenyl)-7,7-dimethyl-2-pyridin-3-yl-1,4,6,8-tetrahydroquinazolin-5-one Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-7,7-dimethyl-2-(3-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=CN=CC=C3)C4=C(C=C(C=C4)F)Cl)C(=O)C1)C

Isomeric SMILES

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

InChI

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