4-oxidanylidene-3-[2-oxidanylidene-2-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]amino]ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]amino]ethyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-[2-oxo-2-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]amino]ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-[2-oxo-2-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]amino]ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]amino]ethyl]phthalazine-1-carboxamide Formula: C18H14N8O3 MolecularWeight: 390.35556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CN=C(C=C3)N4C=NC=N4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CN=C(C=C3)N4C=NC=N4)C(=O)N

InChI

InChI=1S/C18H14N8O3/c19-17(28)16-12-3-1-2-4-13(12)18(29)25(24-16)8-15(27)23-11-5-6-14(21-7-11)26-10-20-9-22-26/h1-7,9-10H,8H2,(H2,19,28)(H,23,27)