7,7-bis(4-fluorophenyl)-1-[(4-methylphenyl)methylamino]-3-piperazin-1-yl-heptan-2-ol

Systemtic Name: 7,7-bis(4-fluorophenyl)-1-[(4-methylphenyl)methylamino]-3-piperazin-1-yl-heptan-2-ol Openeye Name: 7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-1-(p-tolylmethylamino)heptan-2-ol CAS Name: 7,7-bis(4-fluorophenyl)-1-[(4-methylphenyl)methylamino]-3-(1-piperazinyl)-2-heptanol IUPAC Name: 7,7-bis(4-fluorophenyl)-1-[(4-methylphenyl)methylamino]-3-piperazin-1-ylheptan-2-ol Traditional Name: 7,7-bis(4-fluorophenyl)-1-[(4-methylbenzyl)amino]-3-piperazino-heptan-2-ol Formula: C31H39F2N3O MolecularWeight: 507.657666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O

InChI

InChI=1S/C31H39F2N3O/c1-23-5-7-24(8-6-23)21-35-22-31(37)30(36-19-17-34-18-20-36)4-2-3-29(25-9-13-27(32)14-10-25)26-11-15-28(33)16-12-26/h5-16,29-31,34-35,37H,2-4,17-22H2,1H3