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

Systemtic Name: [3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]phenyl] 3-methylbenzoate Openeye Name: [3-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]phenyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=CC(=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H21N3O4/c1-16-7-5-8-17(13-16)25(31)32-19-10-6-9-18(14-19)26-23(29)15-22-20-11-3-4-12-21(20)24(30)28(2)27-22/h3-14H,15H2,1-2H3,(H,26,29)