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

Systemtic Name: N-[2-(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-3,5-bis(fluoranyl)benzamide Openeye Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,5-difluoro-benzamide CAS Name: N-[2-[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3,5-difluorobenzamide IUPAC Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,5-difluorobenzamide Traditional Name: N-[2-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,5-difluoro-benzamide Formula: C28H33F2N5O3 MolecularWeight: 525.590126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC(=C5)F)F

Isomeric SMILES

C1CC(C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC(=C5)F)F

InChI

InChI=1S/C28H33F2N5O3/c29-22-15-21(16-23(30)18-22)26(36)32-24-17-20(28(38)35-11-7-31-8-12-35)5-6-25(24)33-9-2-10-34(14-13-33)27(37)19-3-1-4-19/h5-6,15-19,31H,1-4,7-14H2,(H,32,36)