3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c23-16(20-11-10-13-6-2-1-3-7-13)12-22-18(24)15-9-5-4-8-14(15)17(21-22)19(25)26/h4-6,8-9H,1-3,7,10-12H2,(H,20,23)(H,25,26)