[5-methyl-3-(2-methylpropyl)-1-(phenylmethyl)pyrazol-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-methyl-3-(2-methylpropyl)-1-(phenylmethyl)pyrazol-4-yl]-piperidin-1-yl-methanone Openeye Name: (1-benzyl-3-isobutyl-5-methyl-pyrazol-4-yl)-(1-piperidyl)methanone CAS Name: [5-methyl-3-(2-methylpropyl)-1-(phenylmethyl)-4-pyrazolyl]-(1-piperidinyl)methanone IUPAC Name: [1-benzyl-5-methyl-3-(2-methylpropyl)pyrazol-4-yl]-piperidin-1-ylmethanone Traditional Name: (1-benzyl-3-isobutyl-5-methyl-pyrazol-4-yl)-piperidino-methanone Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)CC(C)C)C(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)CC(C)C)C(=O)N3CCCCC3

InChI

InChI=1S/C21H29N3O/c1-16(2)14-19-20(21(25)23-12-8-5-9-13-23)17(3)24(22-19)15-18-10-6-4-7-11-18/h4,6-7,10-11,16H,5,8-9,12-15H2,1-3H3