N-[[2-bromanyl-5-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]phenyl]methyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[[2-bromanyl-5-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]phenyl]methyl]pyrrolidine-1-carboxamide Openeye Name: N-[[2-bromo-5-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide CAS Name: N-[[2-bromo-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]phenyl]methyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[[2-bromo-5-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)phenyl]methyl]pyrrolidine-1-carboxamide Traditional Name: N-[2-bromo-5-(5-keto-1-methyl-3-pyrazoline-4-carbonyl)benzyl]pyrrolidine-1-carboxamide Formula: C17H19BrN4O3 MolecularWeight: 407.26176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN1)C(=O)C2=CC(=C(C=C2)Br)CNC(=O)N3CCCC3

Isomeric SMILES

CN1C(=O)C(=CN1)C(=O)C2=CC(=C(C=C2)Br)CNC(=O)N3CCCC3

InChI

InChI=1S/C17H19BrN4O3/c1-21-16(24)13(10-20-21)15(23)11-4-5-14(18)12(8-11)9-19-17(25)22-6-2-3-7-22/h4-5,8,10,20H,2-3,6-7,9H2,1H3,(H,19,25)