N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide

Systemtic Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide Openeye Name: N-ethyl-N-[[1-[2-(o-tolyl)ethyl]-4-piperidyl]methyl]-1H-pyrazole-4-carboxamide CAS Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidinyl]methyl]-1H-pyrazole-4-carboxamide IUPAC Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide Traditional Name: N-ethyl-N-[[1-[2-(o-tolyl)ethyl]-4-piperidyl]methyl]-1H-pyrazole-4-carboxamide Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)CCC2=CC=CC=C2C)C(=O)C3=CNN=C3

Isomeric SMILES

CCN(CC1CCN(CC1)CCC2=CC=CC=C2C)C(=O)C3=CNN=C3

InChI

InChI=1S/C21H30N4O/c1-3-25(21(26)20-14-22-23-15-20)16-18-8-11-24(12-9-18)13-10-19-7-5-4-6-17(19)2/h4-7,14-15,18H,3,8-13,16H2,1-2H3,(H,22,23)