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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(3,4-dichlorophenyl)methyl]-1,4-diazepane Formula: C19H20Cl2N2O2 MolecularWeight: 379.2803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2N2O2/c20-15-4-2-13(10-16(15)21)19(23-8-1-6-22-7-9-23)14-3-5-17-18(11-14)25-12-24-17/h2-5,10-11,19,22H,1,6-9,12H2