1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(2-bromophenyl)methyl]-1,4-diazepane Formula: C19H21BrN2O2 MolecularWeight: 389.28624

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4Br

InChI

InChI=1S/C19H21BrN2O2/c20-16-5-2-1-4-15(16)19(22-10-3-8-21-9-11-22)14-6-7-17-18(12-14)24-13-23-17/h1-2,4-7,12,19,21H,3,8-11,13H2