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

Systemtic Name: 3-[2-(cyclooctylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-(cyclooctylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-(cyclooctylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-(cyclooctylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-(cyclooctylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C19H22N3O4- MolecularWeight: 356.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C19H23N3O4/c23-16(20-13-8-4-2-1-3-5-9-13)12-22-18(24)15-11-7-6-10-14(15)17(21-22)19(25)26/h6-7,10-11,13H,1-5,8-9,12H2,(H,20,23)(H,25,26)/p-1