(4-azanylquinazolin-2-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H21N5O2/c1-14-20(15(2)27(26-14)12-16-8-4-3-5-9-16)22(28)29-13-19-24-18-11-7-6-10-17(18)21(23)25-19/h3-11H,12-13H2,1-2H3,(H2,23,24,25)