1-(1,3-benzodioxol-5-yl)-N-[[5-chloranyl-2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[[5-chloranyl-2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[[5-chloro-2-(3-pyridylmethoxy)phenyl]methyl]methanamine CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[[5-chloro-2-(3-pyridinylmethoxy)phenyl]methyl]methanamine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]methanamine Traditional Name: [5-chloro-2-(3-pyridylmethoxy)benzyl]-piperonyl-amine Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=C(C=CC(=C3)Cl)OCC4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=C(C=CC(=C3)Cl)OCC4=CN=CC=C4

InChI

InChI=1S/C21H19ClN2O3/c22-18-4-6-19(25-13-16-2-1-7-23-11-16)17(9-18)12-24-10-15-3-5-20-21(8-15)27-14-26-20/h1-9,11,24H,10,12-14H2