N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CN=C(C=C3)N4C(=CC(=N4)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CN=C(C=C3)N4C(=CC(=N4)C)C

InChI

InChI=1S/C22H22N6O2/c1-4-11-27-22(30)18-8-6-5-7-17(18)20(26-27)21(29)24-16-9-10-19(23-13-16)28-15(3)12-14(2)25-28/h5-10,12-13H,4,11H2,1-3H3,(H,24,29)