1-[(5-bromanylthiophen-2-yl)-(2-ethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2-ethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(2-ethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-o-phenetyl-methyl]-1,4-diazepane Formula: C18H23BrN2OS MolecularWeight: 395.35702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCNCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCNCC3

InChI

InChI=1S/C18H23BrN2OS/c1-2-22-15-7-4-3-6-14(15)18(16-8-9-17(19)23-16)21-12-5-10-20-11-13-21/h3-4,6-9,18,20H,2,5,10-13H2,1H3