methyl 4-[2-[1-(1,5-dimethylpyrazol-4-yl)carbonylpiperidin-4-yl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[1-(1,5-dimethylpyrazol-4-yl)carbonylpiperidin-4-yl]ethyl]benzoate Openeye Name: methyl 4-[2-[1-(1,5-dimethylpyrazole-4-carbonyl)-4-piperidyl]ethyl]benzoate CAS Name: 4-[2-[1-[(1,5-dimethyl-4-pyrazolyl)-oxomethyl]-4-piperidinyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]ethyl]benzoate Traditional Name: 4-[2-[1-(1,5-dimethylpyrazole-4-carbonyl)-4-piperidyl]ethyl]benzoic acid methyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)N2CCC(CC2)CCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C)C(=O)N2CCC(CC2)CCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H27N3O3/c1-15-19(14-22-23(15)2)20(25)24-12-10-17(11-13-24)5-4-16-6-8-18(9-7-16)21(26)27-3/h6-9,14,17H,4-5,10-13H2,1-3H3