1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]pentan-1-one

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]pentan-1-one Openeye Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]pentan-1-one CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]-1-pentanone IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]pentan-1-one Traditional Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazino]-4-methyl-2-[(3,4,5-trimethoxybenzyl)amino]pentan-1-one Formula: C33H41F2N3O4 MolecularWeight: 581.693146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)NCC4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)NCC4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C33H41F2N3O4/c1-22(2)18-28(36-21-23-19-29(40-3)32(42-5)30(20-23)41-4)33(39)38-16-14-37(15-17-38)31(24-6-10-26(34)11-7-24)25-8-12-27(35)13-9-25/h6-13,19-20,22,28,31,36H,14-18,21H2,1-5H3