1-(1,3-benzodioxol-5-yl)-N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]methanamine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]methanamine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-piperonyl-amine Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2=CC3=C(C=C2)OCO3)Br)OCC4=CN=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2=CC3=C(C=C2)OCO3)Br)OCC4=CN=CC=C4

InChI

InChI=1S/C22H21BrN2O4/c1-26-21-9-17(7-18(23)22(21)27-13-16-3-2-6-24-11-16)12-25-10-15-4-5-19-20(8-15)29-14-28-19/h2-9,11,25H,10,12-14H2,1H3