[2-oxidanylidene-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-[3-(2-ketopyrrolidino)anilino]ethyl] ester Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC(=C3)N4CCCC4=O

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC(=C3)N4CCCC4=O

InChI

InChI=1S/C26H28N4O5/c1-2-3-6-15-30-25(33)21-12-5-4-11-20(21)24(28-30)26(34)35-17-22(31)27-18-9-7-10-19(16-18)29-14-8-13-23(29)32/h4-5,7,9-12,16H,2-3,6,8,13-15,17H2,1H3,(H,27,31)