(4-azanylquinazolin-2-yl)methyl 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C20H17N5O2 MolecularWeight: 359.38128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H17N5O2/c21-19-16-8-4-5-9-17(16)23-18(24-19)13-27-20(26)15-10-22-25(12-15)11-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H2,21,23,24)