N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]cyclohexanecarboxamide

Systemtic Name: N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]cyclohexanecarboxamide Openeye Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclohexanecarboxamide CAS Name: N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclohexanecarboxamide Traditional Name: N-[2-(4-nicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]cyclohexanecarboxamide Formula: C29H38N6O3 MolecularWeight: 518.65042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N6O3/c36-27(22-6-2-1-3-7-22)32-25-20-23(28(37)35-16-12-30-13-17-35)9-10-26(25)33-14-5-15-34(19-18-33)29(38)24-8-4-11-31-21-24/h4,8-11,20-22,30H,1-3,5-7,12-19H2,(H,32,36)