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

Systemtic Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine Openeye Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-[(6-methoxy-3-pyridyl)methyl]isoquinolin-1-amine CAS Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-[(6-methoxy-3-pyridinyl)methyl]-1-isoquinolinamine IUPAC Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-[(6-methoxypyridin-3-yl)methyl]isoquinolin-1-amine Traditional Name: [3,4-bis(trifluoromethyl)phenyl]-[4-[(6-methoxy-3-pyridyl)methyl]-1-isoquinolyl]amine Formula: C24H17F6N3O MolecularWeight: 477.401699

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H17F6N3O/c1-34-21-9-6-14(12-31-21)10-15-13-32-22(18-5-3-2-4-17(15)18)33-16-7-8-19(23(25,26)27)20(11-16)24(28,29)30/h2-9,11-13H,10H2,1H3,(H,32,33)