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

Systemtic Name: 1,4-bis[5-[4-(trifluoromethyl)phenyl]pyridin-2-yl]-1,4-diazepane Openeye Name: 1,4-bis[5-[4-(trifluoromethyl)phenyl]-2-pyridyl]-1,4-diazepane CAS Name: 1,4-bis[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,4-diazepane IUPAC Name: 1,4-bis[5-[4-(trifluoromethyl)phenyl]pyridin-2-yl]-1,4-diazepane Traditional Name: 1,4-bis[5-[4-(trifluoromethyl)phenyl]-2-pyridyl]-1,4-diazepane Formula: C29H24F6N4 MolecularWeight: 542.518079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24F6N4/c30-28(31,32)24-8-2-20(3-9-24)22-6-12-26(36-18-22)38-14-1-15-39(17-16-38)27-13-7-23(19-37-27)21-4-10-25(11-5-21)29(33,34)35/h2-13,18-19H,1,14-17H2