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

Systemtic Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-chloranyl-benzamide Openeye Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-chloro-benzamide CAS Name: N-[4-[[6,6-bis(4-fluorophenyl)-1-oxohexyl]amino]but-2-ynyl]-4-chlorobenzamide IUPAC Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-chlorobenzamide Traditional Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-chloro-benzamide Formula: C29H27ClF2N2O2 MolecularWeight: 508.986686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCCCC(=O)NCC#CCNC(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F)F

Isomeric SMILES

C1=CC(=CC=C1C(CCCCC(=O)NCC#CCNC(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C29H27ClF2N2O2/c30-24-13-7-23(8-14-24)29(36)34-20-4-3-19-33-28(35)6-2-1-5-27(21-9-15-25(31)16-10-21)22-11-17-26(32)18-12-22/h7-18,27H,1-2,5-6,19-20H2,(H,33,35)(H,34,36)