3-[3,5-dimethyl-4-[(1R,4S)-4-oxidanylcyclopent-2-en-1-yl]pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-4-[(1R,4S)-4-oxidanylcyclopent-2-en-1-yl]pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3,5-dimethyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(1R,4S)-4-hydroxy-1-cyclopent-2-enyl]-3,5-dimethyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-3,5-dimethyl-pyrazol-1-yl]propionitrile Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)C2CC(C=C2)O

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)[C@@H]2C[C@@H](C=C2)O

InChI

InChI=1S/C13H17N3O/c1-9-13(11-4-5-12(17)8-11)10(2)16(15-9)7-3-6-14/h4-5,11-12,17H,3,7-8H2,1-2H3/t11-,12+/m0/s1