(4-aminocarbonylphenyl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-aminocarbonylphenyl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-carbamoylphenyl)methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (4-carbamoylbenzyl) ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C23H25N3O4/c1-2-3-4-7-14-26-22(28)19-9-6-5-8-18(19)20(25-26)23(29)30-15-16-10-12-17(13-11-16)21(24)27/h5-6,8-13H,2-4,7,14-15H2,1H3,(H2,24,27)