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

Systemtic Name: 4-tert-butyl-N-[5-piperazin-1-ylcarbonyl-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[5-[oxo(1-piperazinyl)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-(4-nicotinoyl-1,4-diazepan-1-yl)-5-(piperazine-1-carbonyl)phenyl]benzamide Formula: C33H40N6O3 MolecularWeight: 568.7091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40N6O3/c1-33(2,3)27-10-7-24(8-11-27)30(40)36-28-22-25(31(41)39-18-14-34-15-19-39)9-12-29(28)37-16-5-17-38(21-20-37)32(42)26-6-4-13-35-23-26/h4,6-13,22-23,34H,5,14-21H2,1-3H3,(H,36,40)