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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(2,5-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)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

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

InChI

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