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

Systemtic Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-[methyl(o-tolylmethyl)amino]-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-[methyl-(2-methylbenzyl)amino]ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-19-10-6-7-13-21(19)17-29(2)24(31)18-34-27(33)25-22-14-8-9-15-23(22)26(32)30(28-25)16-20-11-4-3-5-12-20/h3-15H,16-18H2,1-2H3