3-[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H23N3O4/c1-12(17(23)20-11-13-7-3-2-4-8-13)22-18(24)15-10-6-5-9-14(15)16(21-22)19(25)26/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,20,23)(H,25,26)/t12-/m1/s1