4-(5-bromanylthiophen-2-yl)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]butanamide

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]butanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(5-bromo-2-thienyl)butanamide CAS Name: 4-(5-bromo-2-thiophenyl)-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]butanamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(5-bromothiophen-2-yl)butanamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(5-bromo-2-thienyl)butyramide Formula: C21H24BrN3OS MolecularWeight: 446.40376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCCC3=CC=C(S3)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCCC3=CC=C(S3)Br

InChI

InChI=1S/C21H24BrN3OS/c1-15-19(16(2)25(24-15)14-17-7-4-3-5-8-17)13-23-21(26)10-6-9-18-11-12-20(22)27-18/h3-5,7-8,11-12H,6,9-10,13-14H2,1-2H3,(H,23,26)