[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-pyrrol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-pyrrol-1-ylbenzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H19N3O3/c26-21(25-14-11-20(23-25)17-7-2-1-3-8-17)16-28-22(27)18-9-6-10-19(15-18)24-12-4-5-13-24/h1-10,12-13,15H,11,14,16H2