5-chloranyl-3-methyl-1-phenyl-N-(5-piperidin-1-ylisoquinolin-8-yl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-(5-piperidin-1-ylisoquinolin-8-yl)pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-phenyl-N-[5-(1-piperidyl)-8-isoquinolyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-phenyl-N-[5-(1-piperidinyl)-8-isoquinolinyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-phenyl-N-(5-piperidin-1-ylisoquinolin-8-yl)pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-phenyl-N-(5-piperidino-8-isoquinolyl)pyrazole-4-carboxamide Formula: C25H24ClN5O MolecularWeight: 445.94396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=C3C=NC=CC3=C(C=C2)N4CCCCC4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H24ClN5O/c1-17-23(24(26)31(29-17)18-8-4-2-5-9-18)25(32)28-21-10-11-22(30-14-6-3-7-15-30)19-12-13-27-16-20(19)21/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,28,32)