3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[5-(1-piperidyl)-8-isoquinolyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[5-(1-piperidinyl)-8-isoquinolinyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(5-piperidin-1-ylisoquinolin-8-yl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(5-piperidino-8-isoquinolyl)propionamide Formula: C25H30N6O MolecularWeight: 430.5453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4

InChI

InChI=1S/C25H30N6O/c1-18-20(19(2)31(29-18)16-6-12-26)7-10-25(32)28-23-8-9-24(30-14-4-3-5-15-30)21-11-13-27-17-22(21)23/h8-9,11,13,17H,3-7,10,14-16H2,1-2H3,(H,28,32)