4-[3-(6-azanylpyridin-3-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-(6-azanylpyridin-3-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-(6-amino-3-pyridyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-(6-amino-3-pyridinyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-(6-aminopyridin-3-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-(6-amino-3-pyridyl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C21H15F3N4O MolecularWeight: 396.36521

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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=CN=C(C=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C21H15F3N4O/c22-21(23,24)15-5-6-16-18(9-15)28-20(29)10-17(27-16)13-3-1-2-12(8-13)14-4-7-19(25)26-11-14/h1-9,11H,10H2,(H2,25,26)(H,28,29)