7,7-bis(4-fluorophenyl)-1-[phenyl-(phenylmethyl)amino]-3-piperazin-1-yl-heptan-2-ol

Systemtic Name: 7,7-bis(4-fluorophenyl)-1-[phenyl-(phenylmethyl)amino]-3-piperazin-1-yl-heptan-2-ol Openeye Name: 1-(N-benzylanilino)-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol CAS Name: 7,7-bis(4-fluorophenyl)-1-(N-(phenylmethyl)anilino)-3-(1-piperazinyl)-2-heptanol IUPAC Name: 1-(N-benzylanilino)-7,7-bis(4-fluorophenyl)-3-piperazin-1-ylheptan-2-ol Traditional Name: 1-(N-benzylanilino)-7,7-bis(4-fluorophenyl)-3-piperazino-heptan-2-ol Formula: C36H41F2N3O MolecularWeight: 569.727046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(CN(CC4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1CN(CCN1)C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(CN(CC4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C36H41F2N3O/c37-31-18-14-29(15-19-31)34(30-16-20-32(38)21-17-30)12-7-13-35(40-24-22-39-23-25-40)36(42)27-41(33-10-5-2-6-11-33)26-28-8-3-1-4-9-28/h1-6,8-11,14-21,34-36,39,42H,7,12-13,22-27H2