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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(CCC3)C=C2)C)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(CCC3)C=C2)C)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O

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)14-28-25(31)21-9-4-3-8-20(21)24(27-28)26(32)33/h3-4,8-13H,5-7,14H2,1-2H3,(H,32,33)