4-[5-(3-oxidanylprop-1-ynyl)pyridin-2-yl]-3-piperazin-1-yl-2-(trifluoromethyl)benzaldehyde

Systemtic Name: 4-[5-(3-oxidanylprop-1-ynyl)pyridin-2-yl]-3-piperazin-1-yl-2-(trifluoromethyl)benzaldehyde Openeye Name: 4-[5-(3-hydroxyprop-1-ynyl)-2-pyridyl]-3-piperazin-1-yl-2-(trifluoromethyl)benzaldehyde CAS Name: 4-[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-(1-piperazinyl)-2-(trifluoromethyl)benzaldehyde IUPAC Name: 4-[5-(3-hydroxyprop-1-ynyl)pyridin-2-yl]-3-piperazin-1-yl-2-(trifluoromethyl)benzaldehyde Traditional Name: 4-[5-(3-hydroxyprop-1-ynyl)-2-pyridyl]-3-piperazino-2-(trifluoromethyl)benzaldehyde Formula: C20H18F3N3O2 MolecularWeight: 389.37103

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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#CCO

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O2/c21-20(22,23)18-15(13-28)4-5-16(19(18)26-9-7-24-8-10-26)17-6-3-14(12-25-17)2-1-11-27/h3-6,12-13,24,27H,7-11H2