1-(5-isothiocyanatopentyl)-4-methyl-5-phenyl-N-piperidin-1-yl-pyrazole-3-carboxamide

Systemtic Name: 1-(5-isothiocyanatopentyl)-4-methyl-5-phenyl-N-piperidin-1-yl-pyrazole-3-carboxamide Openeye Name: 1-(5-isothiocyanatopentyl)-4-methyl-5-phenyl-N-(1-piperidyl)pyrazole-3-carboxamide CAS Name: 1-(5-isothiocyanatopentyl)-4-methyl-5-phenyl-N-(1-piperidinyl)-3-pyrazolecarboxamide IUPAC Name: 1-(5-isothiocyanatopentyl)-4-methyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide Traditional Name: 1-(5-isothiocyanatopentyl)-4-methyl-5-phenyl-N-piperidino-pyrazole-3-carboxamide Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)NN2CCCCC2)CCCCCN=C=S)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N(N=C1C(=O)NN2CCCCC2)CCCCCN=C=S)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5OS/c1-18-20(22(28)25-26-14-8-4-9-15-26)24-27(16-10-3-7-13-23-17-29)21(18)19-11-5-2-6-12-19/h2,5-6,11-12H,3-4,7-10,13-16H2,1H3,(H,25,28)