(1S,6R)-6-[[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[[3-[(cyclohexylamino)-oxomethyl]-1-ethyl-4-pyrazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[3-(cyclohexylcarbamoyl)-1-ethyl-pyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H27N4O4- MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2CCCCC2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2CCCCC2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C20H28N4O4/c1-2-24-12-16(17(23-24)19(26)21-13-8-4-3-5-9-13)22-18(25)14-10-6-7-11-15(14)20(27)28/h6-7,12-15H,2-5,8-11H2,1H3,(H,21,26)(H,22,25)(H,27,28)/p-1/t14-,15+/m1/s1