methyl 4-[[4-[4-(2-hydroxyethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoate

Systemtic Name: methyl 4-[[4-[4-(2-hydroxyethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-[4-(2-hydroxyethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-[4-[(2-hydroxyethylamino)-oxomethyl]phenyl]-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(2-hydroxyethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-[4-(2-hydroxyethylcarbamoyl)phenyl]phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)NCCO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)NCCO

InChI

InChI=1S/C25H22N4O4/c1-33-25(32)18-10-12-19(13-11-18)27-23-21-5-3-2-4-20(21)22(28-29-23)16-6-8-17(9-7-16)24(31)26-14-15-30/h2-13,30H,14-15H2,1H3,(H,26,31)(H,27,29)