4-[[4-methoxy-3-(trifluoromethyl)phenyl]methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[[4-methoxy-3-(trifluoromethyl)phenyl]methylamino]-1-(4-oxidanylpiperidin-1-yl)phthalazine-6-carbonitrile Openeye Name: 1-(4-hydroxy-1-piperidyl)-4-[[4-methoxy-3-(trifluoromethyl)phenyl]methylamino]phthalazine-6-carbonitrile CAS Name: 1-(4-hydroxy-1-piperidinyl)-4-[[4-methoxy-3-(trifluoromethyl)phenyl]methylamino]-6-phthalazinecarbonitrile IUPAC Name: 1-(4-hydroxypiperidin-1-yl)-4-[[4-methoxy-3-(trifluoromethyl)phenyl]methylamino]phthalazine-6-carbonitrile Traditional Name: 1-(4-hydroxypiperidino)-4-[[4-methoxy-3-(trifluoromethyl)benzyl]amino]phthalazine-6-carbonitrile Formula: C23H22F3N5O2 MolecularWeight: 457.44829

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)N4CCC(CC4)O)C(F)(F)F

InChI

InChI=1S/C23H22F3N5O2/c1-33-20-5-3-15(11-19(20)23(24,25)26)13-28-21-18-10-14(12-27)2-4-17(18)22(30-29-21)31-8-6-16(32)7-9-31/h2-5,10-11,16,32H,6-9,13H2,1H3,(H,28,29)