N-[3,4-bis(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine

Systemtic Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine Openeye Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-[(6-methoxy-3-pyridyl)methyl]phthalazin-1-amine CAS Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-[(6-methoxy-3-pyridinyl)methyl]-1-phthalazinamine IUPAC Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]phthalazin-1-amine Traditional Name: [3,4-bis(trifluoromethyl)phenyl]-[4-[(6-methoxy-3-pyridyl)methyl]phthalazin-1-yl]amine Formula: C23H16F6N4O MolecularWeight: 478.389759

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=NC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H16F6N4O/c1-34-20-9-6-13(12-30-20)10-19-15-4-2-3-5-16(15)21(33-32-19)31-14-7-8-17(22(24,25)26)18(11-14)23(27,28)29/h2-9,11-12H,10H2,1H3,(H,31,33)