4-[5-[2-(3-hydroxyphenyl)ethynyl]pyridin-2-yl]-3-piperazin-1-yl-2-(trifluoromethyl)benzaldehyde

Systemtic Name: 4-[5-[2-(3-hydroxyphenyl)ethynyl]pyridin-2-yl]-3-piperazin-1-yl-2-(trifluoromethyl)benzaldehyde Openeye Name: 4-[5-[2-(3-hydroxyphenyl)ethynyl]-2-pyridyl]-3-piperazin-1-yl-2-(trifluoromethyl)benzaldehyde CAS Name: 4-[5-[2-(3-hydroxyphenyl)ethynyl]-2-pyridinyl]-3-(1-piperazinyl)-2-(trifluoromethyl)benzaldehyde IUPAC Name: 4-[5-[2-(3-hydroxyphenyl)ethynyl]pyridin-2-yl]-3-piperazin-1-yl-2-(trifluoromethyl)benzaldehyde Traditional Name: 4-[5-[2-(3-hydroxyphenyl)ethynyl]-2-pyridyl]-3-piperazino-2-(trifluoromethyl)benzaldehyde Formula: C25H20F3N3O2 MolecularWeight: 451.44041

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=CC(=C2C(F)(F)F)C=O)C3=NC=C(C=C3)C#CC4=CC(=CC=C4)O

Isomeric SMILES

C1CN(CCN1)C2=C(C=CC(=C2C(F)(F)F)C=O)C3=NC=C(C=C3)C#CC4=CC(=CC=C4)O

InChI

InChI=1S/C25H20F3N3O2/c26-25(27,28)23-19(16-32)7-8-21(24(23)31-12-10-29-11-13-31)22-9-6-18(15-30-22)5-4-17-2-1-3-20(33)14-17/h1-3,6-9,14-16,29,33H,10-13H2