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

Systemtic Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-methyl-benzamide Openeye Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-methyl-benzamide CAS Name: N-[4-[[6,6-bis(4-fluorophenyl)-1-oxohexyl]amino]but-2-ynyl]-4-methylbenzamide IUPAC Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-methylbenzamide Traditional Name: N-[4-[6,6-bis(4-fluorophenyl)hexanoylamino]but-2-ynyl]-4-methyl-benzamide Formula: C30H30F2N2O2 MolecularWeight: 488.568206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC#CCNC(=O)CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=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/C30H30F2N2O2/c1-22-8-10-25(11-9-22)30(36)34-21-5-4-20-33-29(35)7-3-2-6-28(23-12-16-26(31)17-13-23)24-14-18-27(32)19-15-24/h8-19,28H,2-3,6-7,20-21H2,1H3,(H,33,35)(H,34,36)