1-[2-[3-(3-azanyl-1-oxidanyl-propyl)phenyl]ethynyl]cycloheptan-1-ol

Systemtic Name: 1-[2-[3-(3-azanyl-1-oxidanyl-propyl)phenyl]ethynyl]cycloheptan-1-ol Openeye Name: 1-[2-[3-(3-amino-1-hydroxy-propyl)phenyl]ethynyl]cycloheptanol CAS Name: 1-[2-[3-(3-amino-1-hydroxypropyl)phenyl]ethynyl]-1-cycloheptanol IUPAC Name: 1-[2-[3-(3-amino-1-hydroxypropyl)phenyl]ethynyl]cycloheptan-1-ol Traditional Name: 1-[2-[3-(3-amino-1-hydroxy-propyl)phenyl]ethynyl]cycloheptanol Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#CC2=CC(=CC=C2)C(CCN)O)O

Isomeric SMILES

C1CCCC(CC1)(C#CC2=CC(=CC=C2)C(CCN)O)O

InChI

InChI=1S/C18H25NO2/c19-13-9-17(20)16-7-5-6-15(14-16)8-12-18(21)10-3-1-2-4-11-18/h5-7,14,17,20-21H,1-4,9-11,13,19H2