[1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (2-indan-5-yl-1-methyl-2-oxo-ethyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (2-indan-5-yl-2-keto-1-methyl-ethyl) ester Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H24N2O4/c1-18(26(31)22-15-14-20-10-7-11-21(20)16-22)34-28(33)25-23-12-5-6-13-24(23)27(32)30(29-25)17-19-8-3-2-4-9-19/h2-6,8-9,12-16,18H,7,10-11,17H2,1H3