2-[3-azanyl-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[3-azanyl-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one Openeye Name: 2-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one CAS Name: 2-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one Traditional Name: 2-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-1H-quinazolin-3-ium-4-one Formula: C17H13FN5O+ MolecularWeight: 322.316423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)[NH+]=C(N2)C3=C(NN=C3N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[NH+]=C(N2)C3=C(NN=C3N)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H12FN5O/c18-10-7-5-9(6-8-10)14-13(15(19)23-22-14)16-20-12-4-2-1-3-11(12)17(24)21-16/h1-8H,(H3,19,22,23)(H,20,21,24)/p+1