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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4)OCC

InChI

InChI=1S/C23H30N2O4/c1-3-26-19-8-6-17(14-21(19)27-4-2)23(25-12-5-10-24-11-13-25)18-7-9-20-22(15-18)29-16-28-20/h6-9,14-15,23-24H,3-5,10-13,16H2,1-2H3