1-butyl-5-chloranyl-3-methyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrazole-4-carboxamide

Systemtic Name: 1-butyl-5-chloranyl-3-methyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrazole-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: 1-butyl-5-chloro-3-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-butyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-1-butyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C21H29ClN4O MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H29ClN4O/c1-3-4-12-26-20(22)19(16(2)24-26)21(27)23-18-10-13-25(14-11-18)15-17-8-6-5-7-9-17/h5-9,18H,3-4,10-15H2,1-2H3,(H,23,27)