3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C17H18N3O4- MolecularWeight: 328.34252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C17H19N3O4/c21-14(19-9-5-1-2-6-10-19)11-20-16(22)13-8-4-3-7-12(13)15(18-20)17(23)24/h3-4,7-8H,1-2,5-6,9-11H2,(H,23,24)/p-1