methyl 4-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]butanoate Openeye Name: methyl 4-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]butanoate CAS Name: 4-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]butanoate Traditional Name: 4-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]butyric acid methyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCC(=O)OC

InChI

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