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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane Formula: C17H21BrN2OS MolecularWeight: 381.33044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CS2)N3CCCNCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CS2)N3CCCNCC3

InChI

InChI=1S/C17H21BrN2OS/c1-21-15-6-5-13(18)12-14(15)17(16-4-2-11-22-16)20-9-3-7-19-8-10-20/h2,4-6,11-12,17,19H,3,7-10H2,1H3