2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(4-fluorophenyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(4-fluorophenyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(4-fluorophenyl)-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[2-(4-fluorophenyl)-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[2-(4-fluorophenyl)-4-keto-quinazolin-3-yl]acetamide Formula: C21H17FN6O4 MolecularWeight: 436.395883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)F)C)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN6O4/c1-12-19(28(31)32)13(2)26(24-12)11-18(29)25-27-20(14-7-9-15(22)10-8-14)23-17-6-4-3-5-16(17)21(27)30/h3-10H,11H2,1-2H3,(H,25,29)