4-oxidanylidene-3-[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl]phthalazine-1-carboxylic acid Openeye Name: 3-[2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl]-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-(benzylcarbamoylamino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H18N4O5/c1-12(17(25)22-20(29)21-11-13-7-3-2-4-8-13)24-18(26)15-10-6-5-9-14(15)16(23-24)19(27)28/h2-10,12H,11H2,1H3,(H,27,28)(H2,21,22,25,29)