4-oxidanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-3H-phthalazine-1-carboxamide Formula: C20H17N7O3 MolecularWeight: 403.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=NNC(=O)C3=CC=CC=C32)N4C=NC=N4

InChI

InChI=1S/C20H17N7O3/c1-12(27-11-21-10-22-27)18(28)23-13-6-8-14(9-7-13)24-20(30)17-15-4-2-3-5-16(15)19(29)26-25-17/h2-12H,1H3,(H,23,28)(H,24,30)(H,26,29)