N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3-pyridylmethylamino)-1-piperidyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(3-pyridinylmethylamino)-1-piperidinyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]benzamide Traditional Name: N-piperonyl-4-[4-(3-pyridylmethylamino)piperidino]benzamide Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O3/c31-26(29-16-19-3-8-24-25(14-19)33-18-32-24)21-4-6-23(7-5-21)30-12-9-22(10-13-30)28-17-20-2-1-11-27-15-20/h1-8,11,14-15,22,28H,9-10,12-13,16-18H2,(H,29,31)