[2-[(3R)-3-phenyl-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydropyrazol-5-yl]phenyl] benzoate

Systemtic Name: [2-[(3R)-3-phenyl-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydropyrazol-5-yl]phenyl] benzoate Openeye Name: [2-[(3R)-3-phenyl-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydropyrazol-5-yl]phenyl] benzoate CAS Name: benzoic acid [2-[(3R)-2-[(E)-1-oxo-3-phenylprop-2-enyl]-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl] ester IUPAC Name: [2-[(3R)-3-phenyl-2-[(E)-3-phenylprop-2-enoyl]-3,4-dihydropyrazol-5-yl]phenyl] benzoate Traditional Name: benzoic acid [2-[(5R)-5-phenyl-1-[(E)-3-phenylacryloyl]-2-pyrazolin-3-yl]phenyl] ester Formula: C31H24N2O3 MolecularWeight: 472.53386

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2OC(=O)C3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CC=C2OC(=O)C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H24N2O3/c34-30(21-20-23-12-4-1-5-13-23)33-28(24-14-6-2-7-15-24)22-27(32-33)26-18-10-11-19-29(26)36-31(35)25-16-8-3-9-17-25/h1-21,28H,22H2/b21-20+/t28-/m1/s1