1-(2-isocyanophenyl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine

Systemtic Name: 1-(2-isocyanophenyl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine Openeye Name: 1-(2-isocyanophenyl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine CAS Name: 1-(2-isocyanophenyl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine IUPAC Name: 1-(2-isocyanophenyl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine Traditional Name: 1-(2-isocyanophenyl)-4-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperazine Formula: C21H18F3N3 MolecularWeight: 369.38293

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=CC=C1N2CCN(CC2)CC#CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

[C-]#[N+]C1=CC=CC=C1N2CCN(CC2)CC#CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3/c1-25-19-9-2-3-10-20(19)27-14-12-26(13-15-27)11-5-7-17-6-4-8-18(16-17)21(22,23)24/h2-4,6,8-10,16H,11-15H2