N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-tert-butyl-benzamide

Systemtic Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-tert-butyl-benzamide Openeye Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-tert-butyl-benzamide CAS Name: N-[4-[[6,6-bis(4-fluorophenyl)-1-oxohexyl]amino]but-2-ynyl]-4-tert-butylbenzamide IUPAC Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-tert-butylbenzamide Traditional Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-tert-butyl-benzamide Formula: C33H36F2N2O2 MolecularWeight: 530.647946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC#CCNC(=O)CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC#CCNC(=O)CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C33H36F2N2O2/c1-33(2,3)27-16-10-26(11-17-27)32(39)37-23-7-6-22-36-31(38)9-5-4-8-30(24-12-18-28(34)19-13-24)25-14-20-29(35)21-15-25/h10-21,30H,4-5,8-9,22-23H2,1-3H3,(H,36,38)(H,37,39)