[(3-chloranyl-4-methoxy-phenyl)methylamino]-(4-fluoranyl-2-pyrazol-1-yl-piperidin-4-yl)-phthalazin-1-yl-methanol

Systemtic Name: [(3-chloranyl-4-methoxy-phenyl)methylamino]-(4-fluoranyl-2-pyrazol-1-yl-piperidin-4-yl)-phthalazin-1-yl-methanol Openeye Name: [(3-chloro-4-methoxy-phenyl)methylamino]-(4-fluoro-2-pyrazol-1-yl-4-piperidyl)-phthalazin-1-yl-methanol CAS Name: [(3-chloro-4-methoxyphenyl)methylamino]-[4-fluoro-2-(1-pyrazolyl)-4-piperidinyl]-(1-phthalazinyl)methanol IUPAC Name: [(3-chloro-4-methoxyphenyl)methylamino]-(4-fluoro-2-pyrazol-1-ylpiperidin-4-yl)-phthalazin-1-ylmethanol Traditional Name: [(3-chloro-4-methoxy-benzyl)amino]-(4-fluoro-2-pyrazol-1-yl-4-piperidyl)-phthalazin-1-yl-methanol Formula: C25H26ClFN6O2 MolecularWeight: 496.964343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(C2=NN=CC3=CC=CC=C32)(C4(CCNC(C4)N5C=CC=N5)F)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(C2=NN=CC3=CC=CC=C32)(C4(CCNC(C4)N5C=CC=N5)F)O)Cl

InChI

InChI=1S/C25H26ClFN6O2/c1-35-21-8-7-17(13-20(21)26)15-29-25(34,23-19-6-3-2-5-18(19)16-30-32-23)24(27)9-11-28-22(14-24)33-12-4-10-31-33/h2-8,10,12-13,16,22,28-29,34H,9,11,14-15H2,1H3