[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-(4-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-(4-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C25H20ClN3O4 MolecularWeight: 461.897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

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