1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]heptan-1-one

Systemtic Name: 1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]heptan-1-one Openeye Name: 1-[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]heptan-1-one CAS Name: 1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-1-heptanone IUPAC Name: 1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]heptan-1-one Traditional Name: 1-[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]piperidino]heptan-1-one Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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