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

Systemtic Name: [5-[[4-(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[(4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(4-bromo-2-ethyl-5-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C20H27BrN4O4 MolecularWeight: 467.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CC=C(O3)COC(=O)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)Br)C(=O)N2CCCN(CC2)CC3=CC=C(O3)COC(=O)C

InChI

InChI=1S/C20H27BrN4O4/c1-4-25-19(18(21)14(2)22-25)20(27)24-9-5-8-23(10-11-24)12-16-6-7-17(29-16)13-28-15(3)26/h6-7H,4-5,8-13H2,1-3H3