(5-bromanylthiophen-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanylthiophen-3-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(5-bromo-3-thienyl)methanone CAS Name: (5-bromo-3-thiophenyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(5-bromothiophen-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(5-bromo-3-thienyl)methanone Formula: C17H19BrN2OS MolecularWeight: 379.31456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CSC(=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CSC(=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C17H19BrN2OS/c18-16-11-15(13-22-16)17(21)20-8-4-7-19(9-10-20)12-14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-10,12H2