1-[2-(azocan-1-yl)pyridin-3-yl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine

Systemtic Name: 1-[2-(azocan-1-yl)pyridin-3-yl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine Openeye Name: 1-[2-(azocan-1-yl)-3-pyridyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine CAS Name: 1-[2-(1-azocanyl)-3-pyridinyl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine IUPAC Name: 1-[2-(azocan-1-yl)pyridin-3-yl]-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]methanamine Traditional Name: [2-(azocan-1-yl)-3-pyridyl]methyl-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]amine Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1CNCC3=C(N=CC=C3)N4CCCCCCC4)OCO2

Isomeric SMILES

COC1=CC2=C(C=C1CNCC3=C(N=CC=C3)N4CCCCCCC4)OCO2

InChI

InChI=1S/C22H29N3O3/c1-26-19-13-21-20(27-16-28-21)12-18(19)15-23-14-17-8-7-9-24-22(17)25-10-5-3-2-4-6-11-25/h7-9,12-13,23H,2-6,10-11,14-16H2,1H3