ethyl 4-[[3-[methyl-(phenylmethyl)amino]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[3-[methyl-(phenylmethyl)amino]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[3-[benzyl(methyl)amino]-1-piperidyl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[3-[methyl-(phenylmethyl)amino]-1-piperidinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[benzyl(methyl)amino]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[3-[benzyl(methyl)amino]piperidino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2/c1-3-26-20(25)19-17(12-21-22-19)14-24-11-7-10-18(15-24)23(2)13-16-8-5-4-6-9-16/h4-6,8-9,12,18H,3,7,10-11,13-15H2,1-2H3,(H,21,22)