2-(3,5-ditert-butylphenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3,5-ditert-butylphenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole Openeye Name: 2-(3,5-ditert-butylphenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole CAS Name: 2-(3,5-ditert-butylphenyl)-5-[(3-phenyl-1-pyrrolidinyl)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(3,5-ditert-butylphenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole Traditional Name: 2-(3,5-ditert-butylphenyl)-5-[(3-phenylpyrrolidino)methyl]-1,3,4-oxadiazole Formula: C27H35N3O MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=NN=C(O2)CN3CCC(C3)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=NN=C(O2)CN3CCC(C3)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C27H35N3O/c1-26(2,3)22-14-21(15-23(16-22)27(4,5)6)25-29-28-24(31-25)18-30-13-12-20(17-30)19-10-8-7-9-11-19/h7-11,14-16,20H,12-13,17-18H2,1-6H3