3-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(indan-5-ylamino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC2=C(CCC2)C=C1)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H19N3O4/c1-12(19(25)22-15-10-9-13-5-4-6-14(13)11-15)24-20(26)17-8-3-2-7-16(17)18(23-24)21(27)28/h2-3,7-12H,4-6H2,1H3,(H,22,25)(H,27,28)