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

Systemtic Name: 4-(3-pyridin-4-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(4-pyridyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-(3-pyridin-4-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-(3-pyridin-4-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(4-pyridyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H14F3N3O MolecularWeight: 381.35057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14F3N3O/c22-21(23,24)16-4-5-17-19(11-16)27-20(28)12-18(26-17)15-3-1-2-14(10-15)13-6-8-25-9-7-13/h1-11H,12H2,(H,27,28)