1-[[2,4-bis(fluoranyl)phenyl]-pyridin-4-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-pyridin-4-yl-methyl]-1,4-diazepane Openeye Name: 1-[(2,4-difluorophenyl)-(4-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-difluorophenyl)-pyridin-4-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(2,4-difluorophenyl)-pyridin-4-ylmethyl]-1,4-diazepane Traditional Name: 1-[(2,4-difluorophenyl)-(4-pyridyl)methyl]-1,4-diazepane Formula: C17H19F2N3 MolecularWeight: 303.349666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=NC=C2)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=NC=C2)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C17H19F2N3/c18-14-2-3-15(16(19)12-14)17(13-4-7-21-8-5-13)22-10-1-6-20-9-11-22/h2-5,7-8,12,17,20H,1,6,9-11H2