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

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloranyl-2-(3-propan-2-yloxypropylamino)pyridine-3-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-5-chloro-2-(3-isopropoxypropylamino)pyridine-3-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-5-chloro-2-(3-propan-2-yloxypropylamino)-3-pyridinecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-chloro-2-(3-propan-2-yloxypropylamino)pyridine-3-carboxamide Traditional Name: 5-chloro-2-(3-isopropoxypropylamino)-N-(1-piperonyl-4-piperidyl)nicotinamide Formula: C25H33ClN4O4 MolecularWeight: 489.00692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC=C(C=C1C(=O)NC2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC(C)OCCCNC1=NC=C(C=C1C(=O)NC2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C25H33ClN4O4/c1-17(2)32-11-3-8-27-24-21(13-19(26)14-28-24)25(31)29-20-6-9-30(10-7-20)15-18-4-5-22-23(12-18)34-16-33-22/h4-5,12-14,17,20H,3,6-11,15-16H2,1-2H3,(H,27,28)(H,29,31)