(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C25H17ClN4O3 MolecularWeight: 456.88048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H17ClN4O3/c26-17-11-12-19-21(13-17)27-22(28-24(19)31)15-33-25(32)20-14-30(18-9-5-2-6-10-18)29-23(20)16-7-3-1-4-8-16/h1-14H,15H2,(H,27,28,31)