1-[(3R)-3-(benzotriazol-1-yl)-3-(1-oxidanylcyclohexyl)prop-1-ynyl]cyclohexan-1-ol

Systemtic Name: 1-[(3R)-3-(benzotriazol-1-yl)-3-(1-oxidanylcyclohexyl)prop-1-ynyl]cyclohexan-1-ol Openeye Name: 1-[(3R)-3-(benzotriazol-1-yl)-3-(1-hydroxycyclohexyl)prop-1-ynyl]cyclohexanol CAS Name: 1-[(3R)-3-(1-benzotriazolyl)-3-(1-hydroxycyclohexyl)prop-1-ynyl]-1-cyclohexanol IUPAC Name: 1-[(3R)-3-(benzotriazol-1-yl)-3-(1-hydroxycyclohexyl)prop-1-ynyl]cyclohexan-1-ol Traditional Name: 1-[(3R)-3-(benzotriazol-1-yl)-3-(1-hydroxycyclohexyl)prop-1-ynyl]cyclohexanol Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC(C2(CCCCC2)O)N3C4=CC=CC=C4N=N3)O

Isomeric SMILES

C1CCC(CC1)(C#C[C@H](C2(CCCCC2)O)N3C4=CC=CC=C4N=N3)O

InChI

InChI=1S/C21H27N3O2/c25-20(12-5-1-6-13-20)16-11-19(21(26)14-7-2-8-15-21)24-18-10-4-3-9-17(18)22-23-24/h3-4,9-10,19,25-26H,1-2,5-8,12-15H2/t19-/m1/s1