[2-[1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(1-indan-5-yl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(1-indan-5-yl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(CCC3)C=C2)C)C(=O)COC(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(CCC3)C=C2)C)C(=O)COC(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C26H23N3O4/c1-15-12-22(16(2)29(15)19-11-10-17-6-5-7-18(17)13-19)23(30)14-33-26(32)24-20-8-3-4-9-21(20)25(31)28-27-24/h3-4,8-13H,5-7,14H2,1-2H3,(H,28,31)