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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-naphthalen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(2-naphthyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(2-naphthalenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-naphthalen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(2-naphthyl)methyl]-1,4-diazepane Formula: C20H21BrN2S MolecularWeight: 401.36314

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=CC=C(S4)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=CC=C(S4)Br

InChI

InChI=1S/C20H21BrN2S/c21-19-9-8-18(24-19)20(23-12-3-10-22-11-13-23)17-7-6-15-4-1-2-5-16(15)14-17/h1-2,4-9,14,20,22H,3,10-13H2