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

Systemtic Name: N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]cyclopentanecarboxamide Openeye Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclopentanecarboxamide CAS Name: N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1,4-diazepan-1-yl]phenyl]cyclopentanecarboxamide IUPAC Name: N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]cyclopentanecarboxamide Traditional Name: N-[2-(4-isonicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]cyclopentanecarboxamide Formula: C28H36N6O3 MolecularWeight: 504.62384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=NC=C5

Isomeric SMILES

C1CCC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(CC4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C28H36N6O3/c35-26(21-4-1-2-5-21)31-24-20-23(28(37)34-16-12-30-13-17-34)6-7-25(24)32-14-3-15-33(19-18-32)27(36)22-8-10-29-11-9-22/h6-11,20-21,30H,1-5,12-19H2,(H,31,35)