2-[4,4-bis(4-fluorophenyl)butyl]-1-pyridin-2-yl-1,4-diazepane

Systemtic Name: 2-[4,4-bis(4-fluorophenyl)butyl]-1-pyridin-2-yl-1,4-diazepane Openeye Name: 2-[4,4-bis(4-fluorophenyl)butyl]-1-(2-pyridyl)-1,4-diazepane CAS Name: 2-[4,4-bis(4-fluorophenyl)butyl]-1-(2-pyridinyl)-1,4-diazepane IUPAC Name: 2-[4,4-bis(4-fluorophenyl)butyl]-1-pyridin-2-yl-1,4-diazepane Traditional Name: 2-[4,4-bis(4-fluorophenyl)butyl]-1-(2-pyridyl)-1,4-diazepane Formula: C26H29F2N3 MolecularWeight: 421.525366

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(C1)C2=CC=CC=N2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CNCC(N(C1)C2=CC=CC=N2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H29F2N3/c27-22-12-8-20(9-13-22)25(21-10-14-23(28)15-11-21)6-3-5-24-19-29-16-4-18-31(24)26-7-1-2-17-30-26/h1-2,7-15,17,24-25,29H,3-6,16,18-19H2