(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-bromo-2-ethyl-5-methylpyrazol-3-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C17H23BrN4OS MolecularWeight: 411.35972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C17H23BrN4OS/c1-3-22-16(15(18)13(2)19-22)17(23)21-7-4-6-20(8-9-21)11-14-5-10-24-12-14/h5,10,12H,3-4,6-9,11H2,1-2H3