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

Systemtic Name: (5-bromanyl-2-chloranyl-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-2-chloro-phenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-2-chlorophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromo-2-chlorophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-2-chloro-phenyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H18BrClN2OS MolecularWeight: 413.75962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C=CC(=C2)Br)Cl)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CC(=C2)Br)Cl)CC3=CC=CS3

InChI

InChI=1S/C17H18BrClN2OS/c18-13-4-5-16(19)15(11-13)17(22)21-7-2-6-20(8-9-21)12-14-3-1-10-23-14/h1,3-5,10-11H,2,6-9,12H2