4-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-2,3-dihydro-1H-1,5-benzodiazepine

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-2,3-dihydro-1H-1,5-benzodiazepine Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-2,3-dihydro-1H-1,5-benzodiazepine CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-2,3-dihydro-1H-1,5-benzodiazepine IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-2,3-dihydro-1H-1,5-benzodiazepine Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(3-bromophenyl)-2,3-dihydro-1H-1,5-benzodiazepine Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C2N=C1C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)Br

Isomeric SMILES

C1C(NC2=CC=CC=C2N=C1C3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C22H17BrN2O2/c23-16-5-3-4-14(10-16)19-12-20(25-18-7-2-1-6-17(18)24-19)15-8-9-21-22(11-15)27-13-26-21/h1-11,19,24H,12-13H2