2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(2-cyano-2,5-dihydropyridin-4-yl)-2-phthalazin-1-yl-ethanoic acid

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-(2-cyano-2,5-dihydropyridin-4-yl)-2-phthalazin-1-yl-ethanoic acid Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)methylamino]-2-(2-cyano-2,5-dihydropyridin-4-yl)-2-phthalazin-1-yl-acetic acid CAS Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-(2-cyano-2,5-dihydropyridin-4-yl)-2-(1-phthalazinyl)acetic acid IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-(2-cyano-2,5-dihydropyridin-4-yl)-2-phthalazin-1-ylacetic acid Traditional Name: 2-[(3-chloro-4-methoxy-benzyl)amino]-2-(2-cyano-2,5-dihydropyridin-4-yl)-2-phthalazin-1-yl-acetic acid Formula: C24H20ClN5O3 MolecularWeight: 461.9003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(C2=CC(N=CC2)C#N)(C3=NN=CC4=CC=CC=C43)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(C2=CC(N=CC2)C#N)(C3=NN=CC4=CC=CC=C43)C(=O)O)Cl

InChI

InChI=1S/C24H20ClN5O3/c1-33-21-7-6-15(10-20(21)25)13-28-24(23(31)32,17-8-9-27-18(11-17)12-26)22-19-5-3-2-4-16(19)14-29-30-22/h2-7,9-11,14,18,28H,8,13H2,1H3,(H,31,32)