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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC(=O)N3CCCCCCC3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC(=O)N3CCCCCCC3

InChI

InChI=1S/C20H25N3O4/c1-22-20(26)16-10-6-5-9-15(16)17(21-22)13-19(25)27-14-18(24)23-11-7-3-2-4-8-12-23/h5-6,9-10H,2-4,7-8,11-14H2,1H3