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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H21N3O4/c22-16(21-9-5-1-2-6-10-21)12-25-17(23)11-15-13-7-3-4-8-14(13)18(24)20-19-15/h3-4,7-8H,1-2,5-6,9-12H2,(H,20,24)