ethyl 4-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)carbonyl]piperidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)carbonyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)-oxomethyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)C(=O)C3=C(NN=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCCN(C2)C(=O)C3=C(NN=C3)C4CCCCC4

InChI

InChI=1S/C22H35N5O3/c1-2-30-22(29)26-13-11-25(12-14-26)18-9-6-10-27(16-18)21(28)19-15-23-24-20(19)17-7-4-3-5-8-17/h15,17-18H,2-14,16H2,1H3,(H,23,24)/t18-/m0/s1