[2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-2-(2-phenyl-1H-indol-3-yl)ethyl] ester Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)COC(=O)C4=CC=C(C=C4)CN5C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)COC(=O)C4=CC=C(C=C4)CN5C=CC=N5

InChI

InChI=1S/C27H21N3O3/c31-24(18-33-27(32)21-13-11-19(12-14-21)17-30-16-6-15-28-30)25-22-9-4-5-10-23(22)29-26(25)20-7-2-1-3-8-20/h1-16,29H,17-18H2