2,6-ditert-butyl-4-[3-(pyrrolidin-1-ylmethyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[3-(pyrrolidin-1-ylmethyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[3-(pyrrolidin-1-ylmethyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[3-(1-pyrrolidinylmethyl)-2H-1,2,4-oxadiazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[3-(pyrrolidin-1-ylmethyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[3-(pyrrolidinomethyl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H31N3O2 MolecularWeight: 357.48974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2N=C(NO2)CN3CCCC3)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2N=C(NO2)CN3CCCC3)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H31N3O2/c1-20(2,3)15-11-14(12-16(18(15)25)21(4,5)6)19-22-17(23-26-19)13-24-9-7-8-10-24/h11-12H,7-10,13H2,1-6H3,(H,22,23)