N-(4-bromophenyl)-5-[3-(dimethylamino)propoxy]-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-5-[3-(dimethylamino)propoxy]-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-N-(4-bromophenyl)-5-[3-(dimethylamino)propoxy]pyrazole-3-carboxamide CAS Name: N-(4-bromophenyl)-5-[3-(dimethylamino)propoxy]-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-N-(4-bromophenyl)-5-[3-(dimethylamino)propoxy]pyrazole-3-carboxamide Traditional Name: 2-benzyl-N-(4-bromophenyl)-5-[3-(dimethylamino)propoxy]pyrazole-3-carboxamide Formula: C22H25BrN4O2 MolecularWeight: 457.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCCOC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C22H25BrN4O2/c1-26(2)13-6-14-29-21-15-20(22(28)24-19-11-9-18(23)10-12-19)27(25-21)16-17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14,16H2,1-2H3,(H,24,28)