7-chloranyl-4-(3-pyrimidin-5-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-4-(3-pyrimidin-5-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 7-chloro-4-(3-pyrimidin-5-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 7-chloro-4-[3-(5-pyrimidinyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 7-chloro-4-(3-pyrimidin-5-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 7-chloro-4-[3-(5-pyrimidyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C20H12ClF3N4O MolecularWeight: 416.78369

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C(=C2)Cl)C(F)(F)F)NC1=O)C3=CC=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

C1C(=NC2=C(C=C(C(=C2)Cl)C(F)(F)F)NC1=O)C3=CC=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C20H12ClF3N4O/c21-15-6-18-17(5-14(15)20(22,23)24)28-19(29)7-16(27-18)12-3-1-2-11(4-12)13-8-25-10-26-9-13/h1-6,8-10H,7H2,(H,28,29)