(2S)-2-(4-bromanyl-2-chloranyl-phenoxy)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(4-bromanyl-2-chloranyl-phenoxy)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: (2S)-2-(4-bromo-2-chloro-phenoxy)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: (2S)-2-(4-bromo-2-chlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(4-bromo-2-chlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-(4-bromo-2-chloro-phenoxy)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C20H19BrClN3O3 MolecularWeight: 464.74016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C20H19BrClN3O3/c1-12-18(20(27)25(24(12)3)15-7-5-4-6-8-15)23-19(26)13(2)28-17-10-9-14(21)11-16(17)22/h4-11,13H,1-3H3,(H,23,26)/t13-/m0/s1