1-(3-chloranyl-2-methyl-phenyl)-N-(3-methylbutyl)-5-piperidin-4-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-N-(3-methylbutyl)-5-piperidin-4-yl-pyrazole-4-carboxamide Openeye Name: 1-(3-chloro-2-methyl-phenyl)-N-isopentyl-5-(4-piperidyl)pyrazole-4-carboxamide CAS Name: 1-(3-chloro-2-methylphenyl)-N-(3-methylbutyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide IUPAC Name: 1-(3-chloro-2-methylphenyl)-N-(3-methylbutyl)-5-piperidin-4-ylpyrazole-4-carboxamide Traditional Name: 1-(3-chloro-2-methyl-phenyl)-N-isoamyl-5-(4-piperidyl)pyrazole-4-carboxamide Formula: C21H29ClN4O MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NCCC(C)C)C3CCNCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C(C=N2)C(=O)NCCC(C)C)C3CCNCC3

InChI

InChI=1S/C21H29ClN4O/c1-14(2)7-12-24-21(27)17-13-25-26(19-6-4-5-18(22)15(19)3)20(17)16-8-10-23-11-9-16/h4-6,13-14,16,23H,7-12H2,1-3H3,(H,24,27)