3-[1-(3-phenylprop-2-ynoyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-(3-phenylprop-2-ynoyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-(3-phenylprop-2-ynoyl)-3-piperidyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[1-(1-oxo-3-phenylprop-2-ynyl)-3-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1-(3-phenylprop-2-ynoyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(3-phenylpropioloyl)-3-piperidyl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H30N4O2/c31-25(29-19-17-28(18-20-29)24-10-4-5-15-27-24)14-12-23-9-6-16-30(21-23)26(32)13-11-22-7-2-1-3-8-22/h1-5,7-8,10,15,23H,6,9,12,14,16-21H2