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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NCCC3=CNC4=CC=CC=C43

InChI

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