2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[4-(3,5-dimethylpyrazol-1-yl)benzyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C21H17N4O3- MolecularWeight: 373.38468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)[O-])C

InChI

InChI=1S/C21H18N4O3/c1-12-9-13(2)25(24-12)16-6-3-14(4-7-16)10-19-22-18-11-15(21(27)28)5-8-17(18)20(26)23-19/h3-9,11H,10H2,1-2H3,(H,27,28)(H,22,23,26)/p-1