ethyl 1-(1,3-benzothiazol-2-yl)-5-[[3-(diethylcarbamoyl)piperidin-1-yl]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[[3-(diethylcarbamoyl)piperidin-1-yl]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[[3-(diethylcarbamoyl)-1-piperidyl]methyl]pyrazole-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-[[3-[diethylamino(oxo)methyl]-1-piperidinyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[[3-(diethylcarbamoyl)piperidin-1-yl]methyl]pyrazole-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-[[3-(diethylcarbamoyl)piperidino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)CC2=C(C=NN2C3=NC4=CC=CC=C4S3)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)CC2=C(C=NN2C3=NC4=CC=CC=C4S3)C(=O)OCC

InChI

InChI=1S/C24H31N5O3S/c1-4-28(5-2)22(30)17-10-9-13-27(15-17)16-20-18(23(31)32-6-3)14-25-29(20)24-26-19-11-7-8-12-21(19)33-24/h7-8,11-12,14,17H,4-6,9-10,13,15-16H2,1-3H3