methyl 2-[4-oxidanylidene-3-[2-oxidanylidene-2-(phenethylamino)ethyl]phthalazin-1-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-3-[2-oxidanylidene-2-(phenethylamino)ethyl]phthalazin-1-yl]ethanoate Openeye Name: methyl 2-[4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]phthalazin-1-yl]acetate CAS Name: 2-[4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-3-[2-oxo-2-(phenethylamino)ethyl]phthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[2-keto-2-(phenethylamino)ethyl]phthalazin-1-yl]acetic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-28-20(26)13-18-16-9-5-6-10-17(16)21(27)24(23-18)14-19(25)22-12-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,22,25)