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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(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)34-16-7-14-31-15-17-34)12-13-27(26)33-18-20-35(21-19-33)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)