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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]cyclohexanecarboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclohexanecarboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclohexanecarboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-isonicotinoyl-1,4-diazepan-1-yl)phenyl]cyclohexanecarboxamide Formula: C30H40N6O3 MolecularWeight: 532.677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCCN(CC4)C(=O)C5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCCN(CC4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C30H40N6O3/c37-28(23-6-2-1-3-7-23)33-26-22-25(30(39)35-16-4-12-31-15-19-35)8-9-27(26)34-17-5-18-36(21-20-34)29(38)24-10-13-32-14-11-24/h8-11,13-14,22-23,31H,1-7,12,15-21H2,(H,33,37)