3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-yl]propan-1-one Openeye Name: 1-[(3S)-3-(3-isopropoxybenzoyl)-1-piperidyl]-3-(1-methylpyrazol-4-yl)propan-1-one CAS Name: 3-(1-methyl-4-pyrazolyl)-1-[(3S)-3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one Traditional Name: 1-[(3S)-3-(3-isopropoxybenzoyl)piperidino]-3-(1-methylpyrazol-4-yl)propan-1-one Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)CCC3=CN(N=C3)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCCN(C2)C(=O)CCC3=CN(N=C3)C

InChI

InChI=1S/C22H29N3O3/c1-16(2)28-20-8-4-6-18(12-20)22(27)19-7-5-11-25(15-19)21(26)10-9-17-13-23-24(3)14-17/h4,6,8,12-14,16,19H,5,7,9-11,15H2,1-3H3/t19-/m0/s1