[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H21N3O5/c22-15(20-9-5-1-2-6-10-20)12-26-16(23)11-21-18(25)14-8-4-3-7-13(14)17(24)19-21/h3-4,7-8H,1-2,5-6,9-12H2,(H,19,24)