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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-propan-2-ylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-isopropylphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(4-propan-2-ylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-propan-2-ylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl(p-cumenyl)methyl]-1,4-diazepane Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-16(2)17-4-6-18(7-5-17)22(24-12-3-10-23-11-13-24)19-8-9-20-21(14-19)26-15-25-20/h4-9,14,16,22-23H,3,10-13,15H2,1-2H3