4-[[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropyl-amino]methyl]benzamide

Systemtic Name: 4-[[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropyl-amino]methyl]benzamide Openeye Name: 4-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropyl-amino]methyl]benzamide CAS Name: 4-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]methyl]benzamide IUPAC Name: 4-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropylamino]methyl]benzamide Traditional Name: 4-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-cyclopropyl-amino]methyl]benzamide Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)C(=O)N)CC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)C(=O)N)CC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C20H21BrN2O3/c21-17-10-19-18(25-7-8-26-19)9-15(17)12-23(16-5-6-16)11-13-1-3-14(4-2-13)20(22)24/h1-4,9-10,16H,5-8,11-12H2,(H2,22,24)