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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-ethoxy-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(3-ethoxy-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(3-ethoxy-4-methoxy-phenyl)methyl]-1,4-diazepane Formula: C19H25BrN2O2S MolecularWeight: 425.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O2S/c1-3-24-16-13-14(5-6-15(16)23-2)19(17-7-8-18(20)25-17)22-11-4-9-21-10-12-22/h5-8,13,19,21H,3-4,9-12H2,1-2H3