[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-pyrazol-1-yl-phthalazin-1-yl]-4-fluoranyl-piperidin-4-yl]methanol

Systemtic Name: [1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-pyrazol-1-yl-phthalazin-1-yl]-4-fluoranyl-piperidin-4-yl]methanol Openeye Name: [1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-pyrazol-1-yl-phthalazin-1-yl]-4-fluoro-4-piperidyl]methanol CAS Name: [1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(1-pyrazolyl)-1-phthalazinyl]-4-fluoro-4-piperidinyl]methanol IUPAC Name: [1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-pyrazol-1-ylphthalazin-1-yl]-4-fluoropiperidin-4-yl]methanol Traditional Name: [1-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-pyrazol-1-yl-phthalazin-1-yl]-4-fluoro-4-piperidyl]methanol Formula: C25H26ClFN6O2 MolecularWeight: 496.964343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4C=CC=N4)N5CCC(CC5)(CO)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)N4C=CC=N4)N5CCC(CC5)(CO)F)Cl

InChI

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