[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-3-4-10-19-32-28(34)25-14-9-8-13-24(25)26(31-32)29(35)36-20(2)27(33)30-21-15-17-23(18-16-21)37-22-11-6-5-7-12-22/h5-9,11-18,20H,3-4,10,19H2,1-2H3,(H,30,33)