N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-2-[1-(3-phenylprop-2-ynoyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: 2-[1-(1-oxo-3-phenylprop-2-ynyl)-4-piperidinyl]-N-[1-(phenylmethyl)-3-pyrrolidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-2-[1-(3-phenylpropioloyl)-4-piperidyl]thiazole-4-carboxamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C(=O)C#CC5=CC=CC=C5

InChI

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