[2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-[2-furylmethyl(methyl)amino]-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-[2-furanylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-[2-furfuryl(methyl)amino]-2-keto-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(C)CC3=CC=CO3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(C)CC3=CC=CO3

InChI

InChI=1S/C22H25N3O5/c1-3-4-7-12-25-21(27)18-11-6-5-10-17(18)20(23-25)22(28)30-15-19(26)24(2)14-16-9-8-13-29-16/h5-6,8-11,13H,3-4,7,12,14-15H2,1-2H3