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

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4/c1-28(2,3)30(18-20-12-6-4-7-13-20)24(32)19-35-27(34)25-22-16-10-11-17-23(22)26(33)31(29-25)21-14-8-5-9-15-21/h4-17H,18-19H2,1-3H3