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

Systemtic Name: [1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C24H27N3O5 MolecularWeight: 437.48828

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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=CC=C3OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C24H27N3O5/c1-4-5-10-15-27-23(29)18-12-7-6-11-17(18)21(26-27)24(30)32-16(2)22(28)25-19-13-8-9-14-20(19)31-3/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H,25,28)