(3,5-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: (3,5-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Openeye Name: (3,5-dimethylbenzofuran-2-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)-1-piperidyl]methanone CAS Name: (3,5-dimethyl-2-benzofuranyl)-[(2S)-2-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (3,5-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Traditional Name: (3,5-dimethylbenzofuran-2-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidino]methanone Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCCCC3CCN4C=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCCC[C@H]3CCN4C=CC=N4

InChI

InChI=1S/C21H25N3O2/c1-15-7-8-19-18(14-15)16(2)20(26-19)21(25)24-12-4-3-6-17(24)9-13-23-11-5-10-22-23/h5,7-8,10-11,14,17H,3-4,6,9,12-13H2,1-2H3/t17-/m0/s1