3-phenyl-1-[4-[4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-phenyl-1-[4-[4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one Openeye Name: 1-[4-[4-(4-benzylpiperazine-1-carbonyl)thiazol-2-yl]-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[4-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-thiazolyl]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[4-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[4-[4-(4-benzylpiperazine-1-carbonyl)thiazol-2-yl]piperidino]-3-phenyl-prop-2-yn-1-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2S/c34-27(12-11-23-7-3-1-4-8-23)32-15-13-25(14-16-32)28-30-26(22-36-28)29(35)33-19-17-31(18-20-33)21-24-9-5-2-6-10-24/h1-10,22,25H,13-21H2