(5-bromanyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanyl-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromobenzofuran-2-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-2-benzofuranyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromo-1-benzofuran-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromobenzofuran-2-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C19H19BrN2O2S MolecularWeight: 419.33536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C19H19BrN2O2S/c20-15-4-5-17-14(11-15)12-18(24-17)19(23)22-7-2-6-21(8-9-22)13-16-3-1-10-25-16/h1,3-5,10-12H,2,6-9,13H2