(2S)-2-(4-bromanylpyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide

Systemtic Name: (2S)-2-(4-bromanylpyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide Openeye Name: (2S)-2-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide CAS Name: (2S)-2-(4-bromo-1-pyrazolyl)-N-[4-(diethylamino)phenyl]propanamide IUPAC Name: (2S)-2-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide Traditional Name: (2S)-2-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propionamide Formula: C16H21BrN4O MolecularWeight: 365.26814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN4O/c1-4-20(5-2)15-8-6-14(7-9-15)19-16(22)12(3)21-11-13(17)10-18-21/h6-12H,4-5H2,1-3H3,(H,19,22)/t12-/m0/s1