(1S,2R)-2-[[1-(phenylmethyl)pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[1-(phenylmethyl)pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(1-benzylpyrazol-4-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[[1-(phenylmethyl)-4-pyrazolyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(1-benzylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(1-benzylpyrazol-4-yl)carbamoyl]cyclohexanecarboxylate Formula: C18H20N3O3- MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CN(N=C2)CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC2=CN(N=C2)CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C18H21N3O3/c22-17(15-8-4-5-9-16(15)18(23)24)20-14-10-19-21(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,10,12,15-16H,4-5,8-9,11H2,(H,20,22)(H,23,24)/p-1/t15-,16+/m1/s1