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

Systemtic Name: (4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(2-furylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-[4-(2-furanylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-bromo-2-ethyl-5-methylpyrazol-3-yl)-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (4-bromo-2-ethyl-5-methyl-pyrazol-3-yl)-[4-(2-furfuryl)-1,4-diazepan-1-yl]methanone Formula: C17H23BrN4O2 MolecularWeight: 395.29412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C17H23BrN4O2/c1-3-22-16(15(18)13(2)19-22)17(23)21-8-5-7-20(9-10-21)12-14-6-4-11-24-14/h4,6,11H,3,5,7-10,12H2,1-2H3