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

Systemtic Name: methyl 5-[[4-(4-bromanyl-2-ethyl-5-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(4-bromo-2-ethyl-5-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-bromo-2-ethyl-5-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-bromo-2-ethyl-5-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H25BrN4O4 MolecularWeight: 453.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN4O4/c1-4-24-17(16(20)13(2)21-24)18(25)23-9-5-8-22(10-11-23)12-14-6-7-15(28-14)19(26)27-3/h6-7H,4-5,8-12H2,1-3H3