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

Systemtic Name: (5-bromanylthiophen-3-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-3-thienyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-3-thiophenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromothiophen-3-yl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-3-thienyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C18H21BrN2OS MolecularWeight: 393.34114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CSC(=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CSC(=C3)Br

InChI

InChI=1S/C18H21BrN2OS/c1-14-3-5-15(6-4-14)12-20-7-2-8-21(10-9-20)18(22)16-11-17(19)23-13-16/h3-6,11,13H,2,7-10,12H2,1H3