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

Systemtic Name: (4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-bromo-2-ethyl-5-methylpyrazol-3-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Formula: C16H22BrN5OS MolecularWeight: 412.34778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C16H22BrN5OS/c1-3-22-15(14(17)12(2)19-22)16(23)21-7-4-6-20(8-9-21)11-13-18-5-10-24-13/h5,10H,3-4,6-9,11H2,1-2H3