(4-azanylquinazolin-2-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C19H14BrN5O2 MolecularWeight: 424.25076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C19H14BrN5O2/c20-12-7-5-11(6-8-12)15-9-16(25-24-15)19(26)27-10-17-22-14-4-2-1-3-13(14)18(21)23-17/h1-9H,10H2,(H,24,25)(H2,21,22,23)