3-(2-methylimidazol-1-yl)-1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]propan-1-one

Systemtic Name: 3-(2-methylimidazol-1-yl)-1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]propan-1-one Openeye Name: 3-(2-methylimidazol-1-yl)-1-[(3S)-3-[2-(o-tolyl)ethyl]-1-piperidyl]propan-1-one CAS Name: 3-(2-methyl-1-imidazolyl)-1-[(3S)-3-[2-(2-methylphenyl)ethyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(2-methylimidazol-1-yl)-1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]propan-1-one Traditional Name: 3-(2-methylimidazol-1-yl)-1-[(3S)-3-[2-(o-tolyl)ethyl]piperidino]propan-1-one Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC2CCCN(C2)C(=O)CCN3C=CN=C3C

Isomeric SMILES

CC1=CC=CC=C1CC[C@H]2CCCN(C2)C(=O)CCN3C=CN=C3C

InChI

InChI=1S/C21H29N3O/c1-17-6-3-4-8-20(17)10-9-19-7-5-13-24(16-19)21(25)11-14-23-15-12-22-18(23)2/h3-4,6,8,12,15,19H,5,7,9-11,13-14,16H2,1-2H3/t19-/m1/s1