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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)amino]-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol Openeye Name: 1-(3,4-dimethoxyanilino)-7,7-bis(4-fluorophenyl)-3-piperazin-1-yl-heptan-2-ol CAS Name: 1-(3,4-dimethoxyanilino)-7,7-bis(4-fluorophenyl)-3-(1-piperazinyl)-2-heptanol IUPAC Name: 1-(3,4-dimethoxyanilino)-7,7-bis(4-fluorophenyl)-3-piperazin-1-ylheptan-2-ol Traditional Name: 1-(3,4-dimethoxyanilino)-7,7-bis(4-fluorophenyl)-3-piperazino-heptan-2-ol Formula: C31H39F2N3O3 MolecularWeight: 539.656466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NCC(C(CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)N4CCNCC4)O)OC

InChI

InChI=1S/C31H39F2N3O3/c1-38-30-15-14-26(20-31(30)39-2)35-21-29(37)28(36-18-16-34-17-19-36)5-3-4-27(22-6-10-24(32)11-7-22)23-8-12-25(33)13-9-23/h6-15,20,27-29,34-35,37H,3-5,16-19,21H2,1-2H3