ethyl 2-[2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanoylamino]propanoate

Systemtic Name: ethyl 2-[2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]ethanoylamino]propanoate Openeye Name: ethyl 2-[[2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]acetyl]amino]propanoate CAS Name: 2-[[1-oxo-2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]ethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetyl]amino]propanoate Traditional Name: 2-[[2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]acetyl]amino]propionic acid ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C(C)NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=NC=C3

InChI

InChI=1S/C21H22N4O4/c1-3-29-21(28)14(2)23-19(26)13-25-20(27)17-7-5-4-6-16(17)18(24-25)12-15-8-10-22-11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)