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

Systemtic Name: N-[2-(4-cyclohexylcarbonyl-1,4-diazepan-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-fluorobenzamide Traditional Name: N-[2-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-fluoro-benzamide Formula: C31H40FN5O3 MolecularWeight: 549.679403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H40FN5O3/c32-26-11-8-23(9-12-26)29(38)34-27-22-25(31(40)36-16-4-14-33-15-19-36)10-13-28(27)35-17-5-18-37(21-20-35)30(39)24-6-2-1-3-7-24/h8-13,22,24,33H,1-7,14-21H2,(H,34,38)