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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-thienyl)methyl]-1,4-diazepane Formula: C18H23BrN2OS MolecularWeight: 395.35702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CSC=C2)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CSC=C2)N3CCCNCC3

InChI

InChI=1S/C18H23BrN2OS/c1-2-22-17-5-4-15(19)12-16(17)18(14-6-11-23-13-14)21-9-3-7-20-8-10-21/h4-6,11-13,18,20H,2-3,7-10H2,1H3