ethyl 4-(cyclopropylmethyl)-1-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[5-(5-methyl-2-thienyl)-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[[5-(5-methyl-2-thiophenyl)-1H-pyrazol-3-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[5-(5-methyl-2-thienyl)-1H-pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=NNC(=C2)C3=CC=C(S3)C)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=NNC(=C2)C3=CC=C(S3)C)CC4CC4

InChI

InChI=1S/C21H27N3O3S/c1-3-27-20(26)21(13-15-5-6-15)8-10-24(11-9-21)19(25)17-12-16(22-23-17)18-7-4-14(2)28-18/h4,7,12,15H,3,5-6,8-11,13H2,1-2H3,(H,22,23)