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

Systemtic Name: 8-methyl-4-(3-pyrimidin-5-ylphenyl)-7-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 8-methyl-4-(3-pyrimidin-5-ylphenyl)-7-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 8-methyl-4-[3-(5-pyrimidinyl)phenyl]-7-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 8-methyl-4-(3-pyrimidin-5-ylphenyl)-7-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 8-methyl-4-[3-(5-pyrimidyl)phenyl]-7-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H15F3N4O MolecularWeight: 396.36521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(F)(F)F)N=C(CC(=O)N2)C3=CC=CC(=C3)C4=CN=CN=C4

Isomeric SMILES

CC1=CC2=C(C=C1C(F)(F)F)N=C(CC(=O)N2)C3=CC=CC(=C3)C4=CN=CN=C4

InChI

InChI=1S/C21H15F3N4O/c1-12-5-18-19(7-16(12)21(22,23)24)27-17(8-20(29)28-18)14-4-2-3-13(6-14)15-9-25-11-26-10-15/h2-7,9-11H,8H2,1H3,(H,28,29)