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

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-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] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c26-11-10-25-21(28)18-7-2-1-6-17(18)20(24-25)22(29)30-13-19(27)23-16-9-8-14-4-3-5-15(14)12-16/h1-2,6-9,12,26H,3-5,10-11,13H2,(H,23,27)