[4-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]phenyl] 4-methoxybenzoate

Systemtic Name: [4-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]phenyl] 4-methoxybenzoate Openeye Name: [4-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]phenyl] ester IUPAC Name: [4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]phenyl] ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H21N3O5/c1-28-24(30)21-6-4-3-5-20(21)22(27-28)15-23(29)26-17-9-13-19(14-10-17)33-25(31)16-7-11-18(32-2)12-8-16/h3-14H,15H2,1-2H3,(H,26,29)