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

Systemtic Name: 3-[4-[2-azanyl-4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-amino-4-(4-oxo-3H-phthalazin-1-yl)phenyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-amino-4-(4-keto-3H-phthalazin-1-yl)phenyl]piperazino]propionic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)N

InChI

InChI=1S/C21H23N5O3/c22-17-13-14(20-15-3-1-2-4-16(15)21(29)24-23-20)5-6-18(17)26-11-9-25(10-12-26)8-7-19(27)28/h1-6,13H,7-12,22H2,(H,24,29)(H,27,28)