2-(3,5-diphenylpyrazol-1-yl)ethyl 4-(1-benzofuran-2-ylmethyl)piperazine-1-carboxylate

Systemtic Name: 2-(3,5-diphenylpyrazol-1-yl)ethyl 4-(1-benzofuran-2-ylmethyl)piperazine-1-carboxylate Openeye Name: 2-(3,5-diphenylpyrazol-1-yl)ethyl 4-(benzofuran-2-ylmethyl)piperazine-1-carboxylate CAS Name: 4-(2-benzofuranylmethyl)-1-piperazinecarboxylic acid 2-(3,5-diphenyl-1-pyrazolyl)ethyl ester IUPAC Name: 2-(3,5-diphenylpyrazol-1-yl)ethyl 4-(1-benzofuran-2-ylmethyl)piperazine-1-carboxylate Traditional Name: 4-(benzofuran-2-ylmethyl)piperazine-1-carboxylic acid 2-(3,5-diphenylpyrazol-1-yl)ethyl ester Formula: C31H30N4O3 MolecularWeight: 506.5949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3O2)C(=O)OCCN4C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3O2)C(=O)OCCN4C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H30N4O3/c36-31(34-17-15-33(16-18-34)23-27-21-26-13-7-8-14-30(26)38-27)37-20-19-35-29(25-11-5-2-6-12-25)22-28(32-35)24-9-3-1-4-10-24/h1-14,21-22H,15-20,23H2