N-(4-cyanophenyl)-N-[[(3R,4R)-4-(phenylmethyl)pyrrolidin-3-yl]methyl]-1-benzofuran-5-carboxamide

Systemtic Name: N-(4-cyanophenyl)-N-[[(3R,4R)-4-(phenylmethyl)pyrrolidin-3-yl]methyl]-1-benzofuran-5-carboxamide Openeye Name: N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-(4-cyanophenyl)benzofuran-5-carboxamide CAS Name: N-(4-cyanophenyl)-N-[[(3R,4R)-4-(phenylmethyl)-3-pyrrolidinyl]methyl]-5-benzofurancarboxamide IUPAC Name: N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-(4-cyanophenyl)-1-benzofuran-5-carboxamide Traditional Name: N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-(4-cyanophenyl)benzofuran-5-carboxamide Formula: C28H25N3O2 MolecularWeight: 435.517

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1)CN(C2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C=C3)OC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1[C@@H]([C@H](CN1)CN(C2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C=C3)OC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H25N3O2/c29-16-21-6-9-26(10-7-21)31(28(32)23-8-11-27-22(15-23)12-13-33-27)19-25-18-30-17-24(25)14-20-4-2-1-3-5-20/h1-13,15,24-25,30H,14,17-19H2/t24-,25+/m0/s1