3-methyl-1-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one Openeye Name: 1-[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-1-butanone IUPAC Name: 3-methyl-1-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[3-(3-p-cumenyl-1,2,4-oxadiazol-5-yl)piperidino]butan-1-one Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC(C)CC(=O)N1CCCC(C1)C2=NC(=NO2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H29N3O2/c1-14(2)12-19(25)24-11-5-6-18(13-24)21-22-20(23-26-21)17-9-7-16(8-10-17)15(3)4/h7-10,14-15,18H,5-6,11-13H2,1-4H3