ethyl 5-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamoyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamoyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]carbamoyl]-1H-indole-2-carboxylate CAS Name: 5-[oxo-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]-1H-indole-2-carboxylate Traditional Name: 5-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC4=C(C=C3)NC(=C4)C(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC4=C(C=C3)NC(=C4)C(=O)OCC

InChI

InChI=1S/C26H27N5O5/c1-3-5-8-13-31-25(34)19-10-7-6-9-18(19)22(30-31)24(33)29-28-23(32)16-11-12-20-17(14-16)15-21(27-20)26(35)36-4-2/h6-7,9-12,14-15,27H,3-5,8,13H2,1-2H3,(H,28,32)(H,29,33)