N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cycloheptanamine

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cycloheptanamine Openeye Name: N-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl]cycloheptanamine CAS Name: N-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl]cycloheptanamine IUPAC Name: N-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cycloheptanamine Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-cycloheptyl-amine Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2CCCCCC2)Br)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2CCCCCC2)Br)OCC3=CN=CC=C3

InChI

InChI=1S/C21H27BrN2O2/c1-25-20-12-17(14-24-18-8-4-2-3-5-9-18)11-19(22)21(20)26-15-16-7-6-10-23-13-16/h6-7,10-13,18,24H,2-5,8-9,14-15H2,1H3