N-[2-[4-[3,5-bis(fluoranyl)phenyl]carbonyl-1,4-diazepan-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-[2-[4-[3,5-bis(fluoranyl)phenyl]carbonyl-1,4-diazepan-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]phenyl]-3,4-difluoro-benzamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[(3,5-difluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]phenyl]-3,4-difluorobenzamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]phenyl]-3,4-difluorobenzamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]phenyl]-3,4-difluoro-benzamide Formula: C31H31F4N5O3 MolecularWeight: 597.603153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC(=CC(=C4)F)F)NC(=O)C5=CC(=C(C=C5)F)F

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCCN(CC3)C(=O)C4=CC(=CC(=C4)F)F)NC(=O)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C31H31F4N5O3/c32-23-15-22(16-24(33)19-23)31(43)40-11-2-10-38(13-14-40)28-6-4-21(30(42)39-9-1-7-36-8-12-39)18-27(28)37-29(41)20-3-5-25(34)26(35)17-20/h3-6,15-19,36H,1-2,7-14H2,(H,37,41)