2-(3-oxidanylidene-4-pyridin-3-yl-1H-pyrazol-2-yl)-1H-quinazolin-4-one hydrochloride

Systemtic Name: 2-(3-oxidanylidene-4-pyridin-3-yl-1H-pyrazol-2-yl)-1H-quinazolin-4-one hydrochloride Openeye Name: 2-[3-oxo-4-(3-pyridyl)-1H-pyrazol-2-yl]-1H-quinazolin-4-one hydrochloride CAS Name: 2-[3-oxo-4-(3-pyridinyl)-1H-pyrazol-2-yl]-1H-quinazolin-4-one hydrochloride IUPAC Name: 2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-1H-quinazolin-4-one hydrochloride Traditional Name: 2-[5-keto-4-(3-pyridyl)-3-pyrazolin-1-yl]-1H-quinazolin-4-one hydrochloride Formula: C16H12ClN5O2 MolecularWeight: 341.75178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)N3C(=O)C(=CN3)C4=CN=CC=C4.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)N3C(=O)C(=CN3)C4=CN=CC=C4.Cl

InChI

InChI=1S/C16H11N5O2.ClH/c22-14-11-5-1-2-6-13(11)19-16(20-14)21-15(23)12(9-18-21)10-4-3-7-17-8-10;/h1-9,18H,(H,19,20,22);1H