4-[3-[3-[4-(3-methoxypropanoyl)piperazin-1-yl]propyl]-4-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[3-[3-[4-(3-methoxypropanoyl)piperazin-1-yl]propyl]-4-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[3-[3-[4-(3-methoxypropanoyl)piperazin-1-yl]propyl]-4-methyl-2,5-dioxo-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-[3-[4-(3-methoxy-1-oxopropyl)-1-piperazinyl]propyl]-4-methyl-2,5-dioxo-1-pyrrolyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[3-[3-[4-(3-methoxypropanoyl)piperazin-1-yl]propyl]-4-methyl-2,5-dioxopyrrol-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[2,5-diketo-3-[3-[4-(3-methoxypropanoyl)piperazino]propyl]-4-methyl-3-pyrrolin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C24H27F3N4O4 MolecularWeight: 492.49079

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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)CCCN3CCN(CC3)C(=O)CCOC

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)CCCN3CCN(CC3)C(=O)CCOC

InChI

InChI=1S/C24H27F3N4O4/c1-16-19(4-3-8-29-9-11-30(12-10-29)21(32)7-13-35-2)23(34)31(22(16)33)18-6-5-17(15-28)20(14-18)24(25,26)27/h5-6,14H,3-4,7-13H2,1-2H3