N-(2-ethylphenyl)-2-[4-[2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(6-fluoro-4-oxo-quinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-(6-fluoro-4-oxo-3-quinazolinyl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(6-fluoro-4-keto-quinazolin-3-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H27FN5O3+ MolecularWeight: 452.501283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)F

InChI

InChI=1S/C24H26FN5O3/c1-2-17-5-3-4-6-20(17)27-22(31)14-28-9-11-29(12-10-28)23(32)15-30-16-26-21-8-7-18(25)13-19(21)24(30)33/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,27,31)/p+1