N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(2-propan-2-yloxyethylamino)-5-thiophen-2-yl-pyridine-3-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(2-propan-2-yloxyethylamino)-5-thiophen-2-yl-pyridine-3-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-2-(2-isopropoxyethylamino)-5-(2-thienyl)pyridine-3-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-2-(2-propan-2-yloxyethylamino)-5-thiophen-2-yl-3-pyridinecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(2-propan-2-yloxyethylamino)-5-thiophen-2-ylpyridine-3-carboxamide Traditional Name: 2-(2-isopropoxyethylamino)-N-(1-piperonyl-4-piperidyl)-5-(2-thienyl)nicotinamide Formula: C28H34N4O4S MolecularWeight: 522.65896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCNC1=C(C=C(C=N1)C2=CC=CS2)C(=O)NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)OCCNC1=C(C=C(C=N1)C2=CC=CS2)C(=O)NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H34N4O4S/c1-19(2)34-12-9-29-27-23(15-21(16-30-27)26-4-3-13-37-26)28(33)31-22-7-10-32(11-8-22)17-20-5-6-24-25(14-20)36-18-35-24/h3-6,13-16,19,22H,7-12,17-18H2,1-2H3,(H,29,30)(H,31,33)