4-(3-pyridin-3-ylphenyl)-8-(trifluoromethyloxy)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-(3-pyridin-3-ylphenyl)-8-(trifluoromethyloxy)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(3-pyridyl)phenyl]-8-(trifluoromethoxy)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(3-pyridinyl)phenyl]-8-(trifluoromethoxy)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-pyridin-3-ylphenyl)-8-(trifluoromethoxy)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(3-pyridyl)phenyl]-8-(trifluoromethoxy)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H14F3N3O2 MolecularWeight: 397.34997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14F3N3O2/c22-21(23,24)29-16-6-7-17-19(10-16)27-20(28)11-18(26-17)14-4-1-3-13(9-14)15-5-2-8-25-12-15/h1-10,12H,11H2,(H,27,28)