methyl 2-[3-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: methyl 2-[3-[2-(4-tert-butylanilino)-2-oxo-ethyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[2-(4-tert-butylanilino)-2-oxoethyl]-4-oxo-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[2-(4-tert-butylanilino)-2-oxoethyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-[2-(4-tert-butylanilino)-2-keto-ethyl]-4-keto-phthalazin-1-yl]acetic acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)OC

InChI

InChI=1S/C23H25N3O4/c1-23(2,3)15-9-11-16(12-10-15)24-20(27)14-26-22(29)18-8-6-5-7-17(18)19(25-26)13-21(28)30-4/h5-12H,13-14H2,1-4H3,(H,24,27)