(1S,6R)-6-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[(1,3-diphenyl-4-pyrazolyl)methylamino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylate Formula: C24H22N3O3- MolecularWeight: 400.44978

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C24H23N3O3/c28-23(20-13-7-8-14-21(20)24(29)30)25-15-18-16-27(19-11-5-2-6-12-19)26-22(18)17-9-3-1-4-10-17/h1-12,16,20-21H,13-15H2,(H,25,28)(H,29,30)/p-1/t20-,21+/m1/s1