N-[2,4-bis(fluoranyl)benzene-3-id-1-yl]-2-cyclohexyl-benzamide; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: N-[2,4-bis(fluoranyl)benzene-3-id-1-yl]-2-cyclohexyl-benzamide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: 2-cyclohexyl-N-(2,4-difluorobenzene-3-id-1-yl)benzamide; cyclopenta-1,3-diene; titanium(4+) CAS Name: 2-cyclohexyl-N-(2,4-difluoro-1-benzene-3-idyl)benzamide; cyclopenta-1,3-diene; titanium(4+) IUPAC Name: 2-cyclohexyl-N-(2,4-difluorobenzene-3-id-1-yl)benzamide; cyclopenta-1,3-diene; titanium(4+) Traditional Name: 2-cyclohexyl-N-(2,4-difluorobenzene-3-id-1-yl)benzamide; cyclopenta-1,3-diene; titanium(4+) Formula: C48H46F4N2O2Ti MolecularWeight: 806.751653

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=CC=C2C(=O)NC3=C([C-]=C(C=C3)F)F.C1CCC(CC1)C2=CC=CC=C2C(=O)NC3=C([C-]=C(C=C3)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

C1CCC(CC1)C2=CC=CC=C2C(=O)NC3=C([C-]=C(C=C3)F)F.C1CCC(CC1)C2=CC=CC=C2C(=O)NC3=C([C-]=C(C=C3)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C19H18F2NO.2C5H5.Ti/c2*20-14-10-11-18(17(21)12-14)22-19(23)16-9-5-4-8-15(16)13-6-2-1-3-7-13;2*1-2-4-5-3-1;/h2*4-5,8-11,13H,1-3,6-7H2,(H,22,23);2*1-3H,4H2;/q4*-1;+4