1-(phenylmethyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)pyrazole-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-N-(5-piperidin-1-ylisoquinolin-8-yl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[5-(1-piperidyl)-8-isoquinolyl]pyrazole-4-carboxamide CAS Name: 1-(phenylmethyl)-N-[5-(1-piperidinyl)-8-isoquinolinyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(5-piperidin-1-ylisoquinolin-8-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(5-piperidino-8-isoquinolyl)pyrazole-4-carboxamide Formula: C25H25N5O MolecularWeight: 411.4989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CN(N=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)NC(=O)C4=CN(N=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O/c31-25(20-15-27-30(18-20)17-19-7-3-1-4-8-19)28-23-9-10-24(29-13-5-2-6-14-29)21-11-12-26-16-22(21)23/h1,3-4,7-12,15-16,18H,2,5-6,13-14,17H2,(H,28,31)