1-(4-ethylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(4-ethylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-pyrrole-3-carbonitrile Openeye Name: 1-(4-ethylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile CAS Name: 1-(4-ethylphenyl)-2-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3-pyrrolecarbonitrile IUPAC Name: 1-(4-ethylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile Traditional Name: 1-(4-ethylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyrrole-3-carbonitrile Formula: C25H23F3N4O MolecularWeight: 452.47153

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C#N

InChI

InChI=1S/C25H23F3N4O/c1-2-18-6-8-21(9-7-18)32-11-10-19(17-29)23(32)24(33)31-14-12-30(13-15-31)22-5-3-4-20(16-22)25(26,27)28/h3-11,16H,2,12-15H2,1H3