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

Systemtic Name: 4-[3-methyl-2,5-bis(oxidanylidene)-4-[6-[4-(2-phenylethanoyl)piperazin-1-yl]hexyl]pyrrol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[3-methyl-2,5-dioxo-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]hexyl]pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-methyl-2,5-dioxo-4-[6-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]hexyl]-1-pyrrolyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[3-methyl-2,5-dioxo-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]hexyl]pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[2,5-diketo-3-methyl-4-[6-[4-(2-phenylacetyl)piperazino]hexyl]-3-pyrrolin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C31H33F3N4O3 MolecularWeight: 566.61393

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)CCCCCCN3CCN(CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C31H33F3N4O3/c1-22-26(30(41)38(29(22)40)25-13-12-24(21-35)27(20-25)31(32,33)34)11-7-2-3-8-14-36-15-17-37(18-16-36)28(39)19-23-9-5-4-6-10-23/h4-6,9-10,12-13,20H,2-3,7-8,11,14-19H2,1H3