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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,4-dimethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,4-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(2,4-dimethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,4-dimethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(2,4-dimethylphenyl)methyl]-1,4-diazepane Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4)C

InChI

InChI=1S/C21H26N2O2/c1-15-4-6-18(16(2)12-15)21(23-10-3-8-22-9-11-23)17-5-7-19-20(13-17)25-14-24-19/h4-7,12-13,21-22H,3,8-11,14H2,1-2H3