1-[3,3,3-tris(fluoranyl)-2-oxidanyl-2-(1-phenylindazol-5-yl)propyl]indole-3-carbonitrile

Systemtic Name: 1-[3,3,3-tris(fluoranyl)-2-oxidanyl-2-(1-phenylindazol-5-yl)propyl]indole-3-carbonitrile Openeye Name: 1-[3,3,3-trifluoro-2-hydroxy-2-(1-phenylindazol-5-yl)propyl]indole-3-carbonitrile CAS Name: 1-[3,3,3-trifluoro-2-hydroxy-2-(1-phenyl-5-indazolyl)propyl]-3-indolecarbonitrile IUPAC Name: 1-[3,3,3-trifluoro-2-hydroxy-2-(1-phenylindazol-5-yl)propyl]indole-3-carbonitrile Traditional Name: 1-[3,3,3-trifluoro-2-hydroxy-2-(1-phenylindazol-5-yl)propyl]indole-3-carbonitrile Formula: C25H17F3N4O MolecularWeight: 446.42389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C(CN4C=C(C5=CC=CC=C54)C#N)(C(F)(F)F)O)C=N2

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C(CN4C=C(C5=CC=CC=C54)C#N)(C(F)(F)F)O)C=N2

InChI

InChI=1S/C25H17F3N4O/c26-25(27,28)24(33,16-31-15-18(13-29)21-8-4-5-9-23(21)31)19-10-11-22-17(12-19)14-30-32(22)20-6-2-1-3-7-20/h1-12,14-15,33H,16H2