(2-chlorophenyl)methyl 3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-chlorophenyl)methyl 3-[2-(4-methylanilino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 3-[2-(4-methylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(p-toluidino)ethyl]phthalazine-1-carboxylic acid (2-chlorobenzyl) ester Formula: C25H20ClN3O4 MolecularWeight: 461.897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C25H20ClN3O4/c1-16-10-12-18(13-11-16)27-22(30)14-29-24(31)20-8-4-3-7-19(20)23(28-29)25(32)33-15-17-6-2-5-9-21(17)26/h2-13H,14-15H2,1H3,(H,27,30)