ethyl 2-[3-[1,2,4-oxadiazol-5-yl(pyridin-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[1,2,4-oxadiazol-5-yl(pyridin-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[1,2,4-oxadiazol-5-yl(2-pyridyl)methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[1,2,4-oxadiazol-5-yl(2-pyridinyl)methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[1,2,4-oxadiazol-5-yl(pyridin-2-yl)methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[1,2,4-oxadiazol-5-yl(2-pyridyl)methyl]phthalazin-1-yl]acetic acid ethyl ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C(C3=CC=CC=N3)C4=NC=NO4

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C(C3=CC=CC=N3)C4=NC=NO4

InChI

InChI=1S/C20H17N5O4/c1-2-28-17(26)11-16-13-7-3-4-8-14(13)20(27)25(24-16)18(19-22-12-23-29-19)15-9-5-6-10-21-15/h3-10,12,18H,2,11H2,1H3