2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C20H23BrN4OS MolecularWeight: 447.39182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H23BrN4OS/c1-4-24(12-17-10-11-18(21)27-17)13-19(26)22-20-14(2)23-25(15(20)3)16-8-6-5-7-9-16/h5-11H,4,12-13H2,1-3H3,(H,22,26)