(3-azanyl-3-oxidanylidene-propyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-amino-3-oxo-propyl) 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (3-amino-3-keto-propyl) ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCC(=O)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCCC(=O)N

InChI

InChI=1S/C18H23N3O4/c1-2-3-4-7-11-21-17(23)14-9-6-5-8-13(14)16(20-21)18(24)25-12-10-15(19)22/h5-6,8-9H,2-4,7,10-12H2,1H3,(H2,19,22)