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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(2-cyano-1-phthalazin-1-yl-piperidin-4-yl)-2-fluoranyl-ethanoic acid Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)methylamino]-2-(2-cyano-1-phthalazin-1-yl-4-piperidyl)-2-fluoro-acetic acid CAS Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-[2-cyano-1-(1-phthalazinyl)-4-piperidinyl]-2-fluoroacetic acid IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-(2-cyano-1-phthalazin-1-ylpiperidin-4-yl)-2-fluoroacetic acid Traditional Name: 2-[(3-chloro-4-methoxy-benzyl)amino]-2-(2-cyano-1-phthalazin-1-yl-4-piperidyl)-2-fluoro-acetic acid Formula: C24H23ClFN5O3 MolecularWeight: 483.922523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(C2CCN(C(C2)C#N)C3=NN=CC4=CC=CC=C43)(C(=O)O)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(C2CCN(C(C2)C#N)C3=NN=CC4=CC=CC=C43)(C(=O)O)F)Cl

InChI

InChI=1S/C24H23ClFN5O3/c1-34-21-7-6-15(10-20(21)25)13-28-24(26,23(32)33)17-8-9-31(18(11-17)12-27)22-19-5-3-2-4-16(19)14-29-30-22/h2-7,10,14,17-18,28H,8-9,11,13H2,1H3,(H,32,33)