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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)Br)C3=CC4=C(C=C3)OCO4

InChI

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