1-(pyren-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(pyren-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(pyren-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(1-pyrenylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(pyren-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(pyren-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C28H23F3N2 MolecularWeight: 444.49083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC(=C6)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC(=C6)C(F)(F)F

InChI

InChI=1S/C28H23F3N2/c29-28(30,31)23-5-2-6-24(17-23)33-15-13-32(14-16-33)18-22-10-9-21-8-7-19-3-1-4-20-11-12-25(22)27(21)26(19)20/h1-12,17H,13-16,18H2