N-[2-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[4-(phenylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide CAS Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-[oxo(1-piperazinyl)methyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide Traditional Name: N-[2-(4-benzoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide Formula: C30H39N5O3 MolecularWeight: 517.66236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H39N5O3/c36-28(23-8-3-1-4-9-23)32-26-22-25(30(38)35-18-14-31-15-19-35)12-13-27(26)33-16-7-17-34(21-20-33)29(37)24-10-5-2-6-11-24/h2,5-6,10-13,22-23,31H,1,3-4,7-9,14-21H2,(H,32,36)