4-[3-[6-(4-ethanoylpiperazin-1-yl)hexyl]-4-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[3-[6-(4-ethanoylpiperazin-1-yl)hexyl]-4-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[3-[6-(4-acetylpiperazin-1-yl)hexyl]-4-methyl-2,5-dioxo-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-[6-(4-acetyl-1-piperazinyl)hexyl]-4-methyl-2,5-dioxo-1-pyrrolyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[3-[6-(4-acetylpiperazin-1-yl)hexyl]-4-methyl-2,5-dioxopyrrol-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[3-[6-(4-acetylpiperazino)hexyl]-2,5-diketo-4-methyl-3-pyrrolin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C25H29F3N4O3 MolecularWeight: 490.51797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)CCCCCCN3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)CCCCCCN3CCN(CC3)C(=O)C

InChI

InChI=1S/C25H29F3N4O3/c1-17-21(7-5-3-4-6-10-30-11-13-31(14-12-30)18(2)33)24(35)32(23(17)34)20-9-8-19(16-29)22(15-20)25(26,27)28/h8-9,15H,3-7,10-14H2,1-2H3