4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]benzoic acid Openeye Name: 4-[4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-cyano-phthalazin-1-yl]benzoic acid CAS Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyano-1-phthalazinyl]benzoic acid IUPAC Name: 4-[4-[(3-chloro-4-methoxyphenyl)methylamino]-6-cyanophthalazin-1-yl]benzoic acid Traditional Name: 4-[4-[(3-chloro-4-methoxy-benzyl)amino]-6-cyano-phthalazin-1-yl]benzoic acid Formula: C24H17ClN4O3 MolecularWeight: 444.86978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C24H17ClN4O3/c1-32-21-9-3-15(11-20(21)25)13-27-23-19-10-14(12-26)2-8-18(19)22(28-29-23)16-4-6-17(7-5-16)24(30)31/h2-11H,13H2,1H3,(H,27,29)(H,30,31)