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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC=C(S4)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC3=CC=CC=C32)C4=CC=C(S4)Br

InChI

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