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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C20H24N4O5 MolecularWeight: 400.42836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N

InChI

InChI=1S/C20H24N4O5/c21-19(27)18-14-8-4-5-9-15(14)20(28)24(22-18)12-17(26)29-13-16(25)23-10-6-2-1-3-7-11-23/h4-5,8-9H,1-3,6-7,10-13H2,(H2,21,27)