1,4-bis[5-(4-fluorophenyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1,4-bis[5-(4-fluorophenyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1,4-bis[5-(4-fluorophenyl)-2-pyridyl]-1,4-diazepane CAS Name: 1,4-bis[5-(4-fluorophenyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1,4-bis[5-(4-fluorophenyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1,4-bis[5-(4-fluorophenyl)-2-pyridyl]-1,4-diazepane Formula: C27H24F2N4 MolecularWeight: 442.503066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)C3=CC=C(C=C3)F)C4=NC=C(C=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)C3=CC=C(C=C3)F)C4=NC=C(C=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H24F2N4/c28-24-8-2-20(3-9-24)22-6-12-26(30-18-22)32-14-1-15-33(17-16-32)27-13-7-23(19-31-27)21-4-10-25(29)11-5-21/h2-13,18-19H,1,14-17H2