[2,6-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl] 4-methylbenzoate

Systemtic Name: [2,6-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl] 4-methylbenzoate Openeye Name: [2,6-dimethyl-4-(3-methyl-4-oxo-phthalazin-1-yl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2,6-dimethyl-4-(3-methyl-4-oxo-1-phthalazinyl)phenyl] ester IUPAC Name: [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-(4-keto-3-methyl-phthalazin-1-yl)-2,6-dimethyl-phenyl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2C)C3=NN(C(=O)C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2C)C3=NN(C(=O)C4=CC=CC=C43)C)C

InChI

InChI=1S/C25H22N2O3/c1-15-9-11-18(12-10-15)25(29)30-23-16(2)13-19(14-17(23)3)22-20-7-5-6-8-21(20)24(28)27(4)26-22/h5-14H,1-4H3