[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone

Systemtic Name: [3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone Openeye Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-[(2S)-2-methyl-1-piperidyl]methanone CAS Name: [3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-[(2S)-2-methyl-1-piperidinyl]methanone IUPAC Name: [3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone Traditional Name: [3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-[(2S)-2-methylpiperidino]methanone Formula: C19H24BrN3O MolecularWeight: 390.31736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C2=CC(=CC=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C19H24BrN3O/c1-13-7-4-5-10-22(13)19(24)17-9-6-8-16(11-17)12-23-15(3)18(20)14(2)21-23/h6,8-9,11,13H,4-5,7,10,12H2,1-3H3/t13-/m0/s1