6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrimidin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C20H16F3N3O2 MolecularWeight: 387.35515

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CC(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CC(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)OC1

InChI

InChI=1S/C20H16F3N3O2/c21-20(22,23)14-3-5-15(6-4-14)26-19-11-16(24-12-25-19)13-2-7-17-18(10-13)28-9-1-8-27-17/h2-7,10-12H,1,8-9H2,(H,24,25,26)