3-[2-[cyclohexen-1-yl(propyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[cyclohexen-1-yl(propyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[cyclohexen-1-yl(propyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[1-cyclohexenyl(propyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[cyclohexen-1-yl(propyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[cyclohexen-1-yl(propyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C20H22N3O4- MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CCCCC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

CCCN(C1=CCCCC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-2-12-22(14-8-4-3-5-9-14)17(24)13-23-19(25)16-11-7-6-10-15(16)18(21-23)20(26)27/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,26,27)/p-1