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

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]-2-fluoranyl-ethanol Openeye Name: 2-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]-4-piperidyl]-2-fluoro-ethanol CAS Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-4-piperidinyl]-2-fluoroethanol IUPAC Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidin-4-yl]-2-fluoroethanol Traditional Name: 2-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]-4-piperidyl]-2-fluoro-ethanol Formula: C23H26ClFN4O2 MolecularWeight: 444.929543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(CC4)C(CO)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)N4CCC(CC4)C(CO)F)Cl

InChI

InChI=1S/C23H26ClFN4O2/c1-31-21-7-6-15(12-19(21)24)13-26-22-17-4-2-3-5-18(17)23(28-27-22)29-10-8-16(9-11-29)20(25)14-30/h2-7,12,16,20,30H,8-11,13-14H2,1H3,(H,26,27)