1-phenethyl-3-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-phenethyl-3-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-phenethyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridinyl]-3-phenethylurea IUPAC Name: 1-phenethyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-phenethyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]-3-pyridyl]urea Formula: C26H26F3N5O2 MolecularWeight: 497.51215

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)NCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)NCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C26H26F3N5O2/c27-26(28,29)22-9-5-4-8-21(22)24(35)34-16-14-33(15-17-34)23-11-10-20(18-31-23)32-25(36)30-13-12-19-6-2-1-3-7-19/h1-11,18H,12-17H2,(H2,30,32,36)