1-[2-(3-chlorophenyl)ethynyl]-4-(1H-pyrazol-5-ylamino)cyclohexan-1-ol

Systemtic Name: 1-[2-(3-chlorophenyl)ethynyl]-4-(1H-pyrazol-5-ylamino)cyclohexan-1-ol Openeye Name: 1-[2-(3-chlorophenyl)ethynyl]-4-(1H-pyrazol-5-ylamino)cyclohexanol CAS Name: 1-[2-(3-chlorophenyl)ethynyl]-4-(1H-pyrazol-5-ylamino)-1-cyclohexanol IUPAC Name: 1-[2-(3-chlorophenyl)ethynyl]-4-(1H-pyrazol-5-ylamino)cyclohexan-1-ol Traditional Name: 1-[2-(3-chlorophenyl)ethynyl]-4-(1H-pyrazol-5-ylamino)cyclohexanol Formula: C17H18ClN3O MolecularWeight: 315.79732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=CC=NN2)(C#CC3=CC(=CC=C3)Cl)O

Isomeric SMILES

C1CC(CCC1NC2=CC=NN2)(C#CC3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C17H18ClN3O/c18-14-3-1-2-13(12-14)4-8-17(22)9-5-15(6-10-17)20-16-7-11-19-21-16/h1-3,7,11-12,15,22H,5-6,9-10H2,(H2,19,20,21)