(2S)-2-(4-bromanylpyrazol-1-yl)-N-(4-butylphenyl)propanamide

Systemtic Name: (2S)-2-(4-bromanylpyrazol-1-yl)-N-(4-butylphenyl)propanamide Openeye Name: (2S)-2-(4-bromopyrazol-1-yl)-N-(4-butylphenyl)propanamide CAS Name: (2S)-2-(4-bromo-1-pyrazolyl)-N-(4-butylphenyl)propanamide IUPAC Name: (2S)-2-(4-bromopyrazol-1-yl)-N-(4-butylphenyl)propanamide Traditional Name: (2S)-2-(4-bromopyrazol-1-yl)-N-(4-butylphenyl)propionamide Formula: C16H20BrN3O MolecularWeight: 350.2535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(C)N2C=C(C=N2)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)[C@H](C)N2C=C(C=N2)Br

InChI

InChI=1S/C16H20BrN3O/c1-3-4-5-13-6-8-15(9-7-13)19-16(21)12(2)20-11-14(17)10-18-20/h6-12H,3-5H2,1-2H3,(H,19,21)/t12-/m0/s1