1-[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[(3R,4R)-4-(4-methylpiperazin-1-yl)-3-oxidanyl-piperidin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazinyl)-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazino)piperidino]-3-phenyl-prop-2-yn-1-one Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2O)C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)[C@@H]2CCN(C[C@H]2O)C(=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2/c1-20-11-13-21(14-12-20)17-9-10-22(15-18(17)23)19(24)8-7-16-5-3-2-4-6-16/h2-6,17-18,23H,9-15H2,1H3/t17-,18-/m1/s1