N-[2,5-bis(fluoranyl)phenyl]-4-[(4-tert-butylphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-4-[(4-tert-butylphenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-[(4-tert-butylphenyl)methyl]-N-(2,5-difluorophenyl)piperazine-1-carboxamide CAS Name: 4-[(4-tert-butylphenyl)methyl]-N-(2,5-difluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[(4-tert-butylphenyl)methyl]-N-(2,5-difluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(4-tert-butylbenzyl)-N-(2,5-difluorophenyl)piperazine-1-carboxamide Formula: C22H27F2N3O MolecularWeight: 387.466086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=C(C=CC(=C3)F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=C(C=CC(=C3)F)F

InChI

InChI=1S/C22H27F2N3O/c1-22(2,3)17-6-4-16(5-7-17)15-26-10-12-27(13-11-26)21(28)25-20-14-18(23)8-9-19(20)24/h4-9,14H,10-13,15H2,1-3H3,(H,25,28)