2-[4-[(4-ethynylphenyl)methyl]-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[4-[(4-ethynylphenyl)methyl]-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[4-[(4-ethynylphenyl)methyl]-1-[(2-fluoro-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[4-[(4-ethynylphenyl)methyl]-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[4-[(4-ethynylphenyl)methyl]-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[4-(4-ethynylbenzyl)-1-(2-fluoro-4-methoxy-benzyl)piperazin-2-yl]ethanol Formula: C23H27FN2O2 MolecularWeight: 382.471083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCN(CC2CCO)CC3=CC=C(C=C3)C#C)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCN(CC2CCO)CC3=CC=C(C=C3)C#C)F

InChI

InChI=1S/C23H27FN2O2/c1-3-18-4-6-19(7-5-18)15-25-11-12-26(21(17-25)10-13-27)16-20-8-9-22(28-2)14-23(20)24/h1,4-9,14,21,27H,10-13,15-17H2,2H3