[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O4/c1-17-13-14-18(2)22(15-17)28-26(32)25(19-9-5-4-6-10-19)34-24(31)16-23-20-11-7-8-12-21(20)27(33)30(3)29-23/h4-15,25H,16H2,1-3H3,(H,28,32)