1-[(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3,4-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-dimethoxyphenyl)-(5-ethyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3,4-dimethoxyphenyl)-(5-ethyl-2-thienyl)methyl]-1,4-diazepane Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)OC)OC)N3CCCNCC3

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=C(C=C2)OC)OC)N3CCCNCC3

InChI

InChI=1S/C20H28N2O2S/c1-4-16-7-9-19(25-16)20(22-12-5-10-21-11-13-22)15-6-8-17(23-2)18(14-15)24-3/h6-9,14,20-21H,4-5,10-13H2,1-3H3