1-[(3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzodioxol-5-ylcarbonyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone Openeye Name: 1-[(3S)-3-(1,3-benzodioxole-5-carbonyl)-1-piperidyl]-2-(2H-indazol-3-yl)ethanone CAS Name: 1-[(3S)-3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperidinyl]-2-(2H-indazol-3-yl)ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzodioxole-5-carbonyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone Traditional Name: 2-(2H-indazol-3-yl)-1-[(3S)-3-piperonyloylpiperidino]ethanone Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=C3C=CC=CC3=NN2)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC2=C3C=CC=CC3=NN2)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O4/c26-21(11-18-16-5-1-2-6-17(16)23-24-18)25-9-3-4-15(12-25)22(27)14-7-8-19-20(10-14)29-13-28-19/h1-2,5-8,10,15H,3-4,9,11-13H2,(H,23,24)/t15-/m0/s1