[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)CCC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)CCC

InChI

InChI=1S/C27H31N3O5/c1-3-5-6-9-17-30-26(33)22-12-8-7-11-21(22)25(29-30)27(34)35-18-23(31)19-13-15-20(16-14-19)28-24(32)10-4-2/h7-8,11-16H,3-6,9-10,17-18H2,1-2H3,(H,28,32)