N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide

Systemtic Name: N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide Openeye Name: N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidyl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide CAS Name: N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-piperidinyl]-2-phenylethyl]-N-cyclopropyl-2-pyridinecarboxamide IUPAC Name: N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-2-phenylethyl]-N-cyclopropylpyridine-2-carboxamide Traditional Name: N-cyclopropyl-N-[2-phenyl-1-[1-(piazthiol-5-ylmethyl)-4-piperidyl]ethyl]picolinamide Formula: C29H31N5OS MolecularWeight: 497.65434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C(CC2=CC=CC=C2)C3CCN(CC3)CC4=CC5=NSN=C5C=C4)C(=O)C6=CC=CC=N6

Isomeric SMILES

C1CC1N(C(CC2=CC=CC=C2)C3CCN(CC3)CC4=CC5=NSN=C5C=C4)C(=O)C6=CC=CC=N6

InChI

InChI=1S/C29H31N5OS/c35-29(26-8-4-5-15-30-26)34(24-10-11-24)28(19-21-6-2-1-3-7-21)23-13-16-33(17-14-23)20-22-9-12-25-27(18-22)32-36-31-25/h1-9,12,15,18,23-24,28H,10-11,13-14,16-17,19-20H2