(4-pyrazol-1-ylphenyl)methyl 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-bromanyl-1H-indole-2-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H14BrN3O2 MolecularWeight: 396.23736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)Br

InChI

InChI=1S/C19H14BrN3O2/c20-17-15-4-1-2-5-16(15)22-18(17)19(24)25-12-13-6-8-14(9-7-13)23-11-3-10-21-23/h1-11,22H,12H2