(1-cyanoindolizin-2-yl)methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-pyrazol-1-ylbenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H14N4O2 MolecularWeight: 342.35076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CC=C(C=C3)N4C=CC=N4)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CC=C(C=C3)N4C=CC=N4)C#N

InChI

InChI=1S/C20H14N4O2/c21-12-18-16(13-23-10-2-1-4-19(18)23)14-26-20(25)15-5-7-17(8-6-15)24-11-3-9-22-24/h1-11,13H,14H2