1-[(4-ethoxy-3-methoxy-phenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(S2)C)N3CCCNCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(S2)C)N3CCCNCC3)OC

InChI

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