2-[4-[2-azanyl-4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-azanyl-4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-amino-4-(4-keto-3H-phthalazin-1-yl)phenyl]piperazino]acetic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

InChI

InChI=1S/C20H21N5O3/c21-16-11-13(19-14-3-1-2-4-15(14)20(28)23-22-19)5-6-17(16)25-9-7-24(8-10-25)12-18(26)27/h1-6,11H,7-10,12,21H2,(H,23,28)(H,26,27)