3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCCC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCCC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H18N4O4/c26-18(22-10-9-13-11-23-17-8-4-3-5-14(13)17)12-25-20(27)16-7-2-1-6-15(16)19(24-25)21(28)29/h1-8,11,23H,9-10,12H2,(H,22,26)(H,28,29)