4-[3,5-bis(fluoranyl)phenyl]-2-(3-chlorophenyl)-1-prop-2-ynyl-azocane

Systemtic Name: 4-[3,5-bis(fluoranyl)phenyl]-2-(3-chlorophenyl)-1-prop-2-ynyl-azocane Openeye Name: 2-(3-chlorophenyl)-4-(3,5-difluorophenyl)-1-prop-2-ynyl-azocane CAS Name: 2-(3-chlorophenyl)-4-(3,5-difluorophenyl)-1-prop-2-ynylazocane IUPAC Name: 2-(3-chlorophenyl)-4-(3,5-difluorophenyl)-1-prop-2-ynylazocane Traditional Name: 2-(3-chlorophenyl)-4-(3,5-difluorophenyl)-1-propargyl-azocane Formula: C22H22ClF2N MolecularWeight: 373.866586

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCCCC(CC1C2=CC(=CC=C2)Cl)C3=CC(=CC(=C3)F)F

Isomeric SMILES

C#CCN1CCCCC(CC1C2=CC(=CC=C2)Cl)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C22H22ClF2N/c1-2-9-26-10-4-3-6-16(18-12-20(24)15-21(25)13-18)14-22(26)17-7-5-8-19(23)11-17/h1,5,7-8,11-13,15-16,22H,3-4,6,9-10,14H2