[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl] 3-azanylpentanoate hydrochloride

Systemtic Name: [3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl] 3-azanylpentanoate hydrochloride Openeye Name: [3-(4-oxo-3H-phthalazin-1-yl)phenyl] 3-aminopentanoate hydrochloride CAS Name: 3-aminopentanoic acid [3-(4-oxo-3H-phthalazin-1-yl)phenyl] ester hydrochloride IUPAC Name: [3-(4-oxo-3H-phthalazin-1-yl)phenyl] 3-aminopentanoate hydrochloride Traditional Name: 3-aminovaleric acid [3-(4-keto-3H-phthalazin-1-yl)phenyl] ester hydrochloride Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N.Cl

Isomeric SMILES

CCC(CC(=O)OC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)N.Cl

InChI

InChI=1S/C19H19N3O3.ClH/c1-2-13(20)11-17(23)25-14-7-5-6-12(10-14)18-15-8-3-4-9-16(15)19(24)22-21-18;/h3-10,13H,2,11,20H2,1H3,(H,22,24);1H