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

Systemtic Name: [2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-[3-(cyclopropylcarbamoyl)anilino]-2-keto-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)C(=O)NC4CC4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

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