3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl]phthalazine-1-carboxylate Formula: C18H20N3O4- MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-]

InChI

InChI=1S/C18H21N3O4/c1-11-6-2-5-9-14(11)19-15(22)10-21-17(23)13-8-4-3-7-12(13)16(20-21)18(24)25/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,19,22)(H,24,25)/p-1/t11-,14+/m1/s1