3-[(1R,4S)-3-(3-oxidanylidene-3-piperidin-1-yl-prop-1-ynyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-piperidin-1-yl-prop-2-yn-1-one

Systemtic Name: 3-[(1R,4S)-3-(3-oxidanylidene-3-piperidin-1-yl-prop-1-ynyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-piperidin-1-yl-prop-2-yn-1-one Openeye Name: 3-[(1R,4S)-3-[3-oxo-3-(1-piperidyl)prop-1-ynyl]-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-(1-piperidyl)prop-2-yn-1-one CAS Name: 3-[(1R,4S)-3-[3-oxo-3-(1-piperidinyl)prop-1-ynyl]-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-(1-piperidinyl)-2-propyn-1-one IUPAC Name: 3-[(1R,4S)-3-(3-oxo-3-piperidin-1-ylprop-1-ynyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-piperidin-1-ylprop-2-yn-1-one Traditional Name: 3-[(1R,4S)-3-(3-keto-3-piperidino-prop-1-ynyl)-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl]-1-piperidino-prop-2-yn-1-one Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C#CC2=C(C3C=CC2O3)C#CC(=O)N4CCCCC4

Isomeric SMILES

C1CCN(CC1)C(=O)C#CC2=C([C@@H]3C=C[C@H]2O3)C#CC(=O)N4CCCCC4

InChI

InChI=1S/C22H24N2O3/c25-21(23-13-3-1-4-14-23)11-7-17-18(20-10-9-19(17)27-20)8-12-22(26)24-15-5-2-6-16-24/h9-10,19-20H,1-6,13-16H2/t19-,20+