(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: (6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (6-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C19H13ClN4O3 MolecularWeight: 380.78452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C19H13ClN4O3/c20-12-6-7-14-13(8-12)18(25)22-17(21-14)10-27-19(26)16-9-15(23-24-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,23,24)(H,21,22,25)