[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H20N4O3/c1-14(21-24-18-10-6-5-9-17(18)22(28)25-21)30-23(29)20-13-19(15-11-12-15)26-27(20)16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,24,25,28)/t14-/m0/s1