5-[3-(dimethylamino)propoxy]-N-isoquinolin-1-yl-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: 5-[3-(dimethylamino)propoxy]-N-isoquinolin-1-yl-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-5-[3-(dimethylamino)propoxy]-N-(1-isoquinolyl)pyrazole-3-carboxamide CAS Name: 5-[3-(dimethylamino)propoxy]-N-(1-isoquinolinyl)-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-5-[3-(dimethylamino)propoxy]-N-isoquinolin-1-ylpyrazole-3-carboxamide Traditional Name: 2-benzyl-5-[3-(dimethylamino)propoxy]-N-(1-isoquinolyl)pyrazole-3-carboxamide Formula: C25H27N5O2 MolecularWeight: 429.51418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=NN(C(=C1)C(=O)NC2=NC=CC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CN(C)CCCOC1=NN(C(=C1)C(=O)NC2=NC=CC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2/c1-29(2)15-8-16-32-23-17-22(30(28-23)18-19-9-4-3-5-10-19)25(31)27-24-21-12-7-6-11-20(21)13-14-26-24/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,26,27,31)