tert-butyl 4-[5-[3-oxidanylidene-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]propyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[3-oxidanylidene-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]propyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-[3-oxo-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-[3-oxo-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propyl]-1,2,4-oxadiazol-3-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[3-oxo-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[3-keto-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylamino]propyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H35N7O5 MolecularWeight: 525.6

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NOC(=N2)CCC(=O)NCCCNC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NOC(=N2)CCC(=O)NCCCNC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C26H35N7O5/c1-26(2,3)37-25(36)33-15-11-17(12-16-33)22-29-21(38-32-22)10-9-20(34)27-13-6-14-28-23-18-7-4-5-8-19(18)24(35)31-30-23/h4-5,7-8,17H,6,9-16H2,1-3H3,(H,27,34)(H,28,30)(H,31,35)