[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O4/c30-23(27-19-14-13-17-7-6-8-18(17)15-19)16-33-26(32)24-21-11-4-5-12-22(21)25(31)29(28-24)20-9-2-1-3-10-20/h1-5,9-15H,6-8,16H2,(H,27,30)