[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H18N4O4/c1-25-21(28)17-5-3-2-4-16(17)18(24-25)12-20(27)29-13-19(26)23-15-8-6-14(7-9-15)10-11-22/h2-9H,10,12-13H2,1H3,(H,23,26)