1-[[2,4-bis(fluoranyl)phenyl]-pyridin-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(2,4-difluorophenyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-difluorophenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-difluorophenyl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(2,4-difluorophenyl)-(3-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=CN=CC=C2)C3=C(C=C(C=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H19F2N3/c18-14-4-5-15(16(19)11-14)17(13-3-1-6-21-12-13)22-9-2-7-20-8-10-22/h1,3-6,11-12,17,20H,2,7-10H2