1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxy-phenyl)methyl]-1,4-diazepane Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4)OC

InChI

InChI=1S/C22H28N2O4/c1-3-26-20-13-16(5-7-18(20)25-2)22(24-11-4-9-23-10-12-24)17-6-8-19-21(14-17)28-15-27-19/h5-8,13-14,22-23H,3-4,9-12,15H2,1-2H3