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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(2-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(2-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(2-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(2-methoxyphenyl)methyl]-1,4-diazepane Formula: C17H21BrN2OS MolecularWeight: 381.33044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCNCC3

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=C(S2)Br)N3CCCNCC3

InChI

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