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

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(2-propan-2-yloxyethylamino)-5-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-2-(2-isopropoxyethylamino)-5-(4-pyridyl)pyridine-3-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-2-(2-propan-2-yloxyethylamino)-5-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(2-propan-2-yloxyethylamino)-5-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-(2-isopropoxyethylamino)-N-(1-piperonyl-4-piperidyl)-5-(4-pyridyl)nicotinamide Formula: C29H35N5O4 MolecularWeight: 517.6193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N5O4/c1-20(2)36-14-11-31-28-25(16-23(17-32-28)22-5-9-30-10-6-22)29(35)33-24-7-12-34(13-8-24)18-21-3-4-26-27(15-21)38-19-37-26/h3-6,9-10,15-17,20,24H,7-8,11-14,18-19H2,1-2H3,(H,31,32)(H,33,35)