3-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(cyclohexylmethylamino)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(cyclohexylmethylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(cyclohexylmethylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C1CCC(CC1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H21N3O4/c22-15(19-10-12-6-2-1-3-7-12)11-21-17(23)14-9-5-4-8-13(14)16(20-21)18(24)25/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,22)(H,24,25)