N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(4-pyridylmethylamino)pyridine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-homopiperonyl-2-(4-pyridylmethylamino)nicotinamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4

InChI

InChI=1S/C21H20N4O3/c26-21(24-11-7-15-3-4-18-19(12-15)28-14-27-18)17-2-1-8-23-20(17)25-13-16-5-9-22-10-6-16/h1-6,8-10,12H,7,11,13-14H2,(H,23,25)(H,24,26)