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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4

InChI

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