N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]-piperonyl-amine Formula: C18H14F3N3O3 MolecularWeight: 377.31727

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14F3N3O3/c1-25-11-3-4-12-13(7-11)23-17(18(19,20)21)24-16(12)22-8-10-2-5-14-15(6-10)27-9-26-14/h2-7H,8-9H2,1H3,(H,22,23,24)