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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl(o-tolyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl(o-tolyl)methyl]-1,4-diazepane Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

InChI=1S/C20H24N2O2/c1-15-5-2-3-6-17(15)20(22-11-4-9-21-10-12-22)16-7-8-18-19(13-16)24-14-23-18/h2-3,5-8,13,20-21H,4,9-12,14H2,1H3