tert-butyl N-but-2-ynyl-N-[5-oxidanylidene-5-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]amino]pentyl]carbamate

Systemtic Name: tert-butyl N-but-2-ynyl-N-[5-oxidanylidene-5-[[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]amino]pentyl]carbamate Openeye Name: tert-butyl N-but-2-ynyl-N-[5-oxo-5-[3-(4-oxo-3H-phthalazin-1-yl)anilino]pentyl]carbamate CAS Name: N-but-2-ynyl-N-[5-oxo-5-[3-(4-oxo-3H-phthalazin-1-yl)anilino]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-but-2-ynyl-N-[5-oxo-5-[3-(4-oxo-3H-phthalazin-1-yl)anilino]pentyl]carbamate Traditional Name: N-but-2-ynyl-N-[5-keto-5-[3-(4-keto-3H-phthalazin-1-yl)anilino]pentyl]carbamic acid tert-butyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(CCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCN(CCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H32N4O4/c1-5-6-17-32(27(35)36-28(2,3)4)18-10-9-16-24(33)29-21-13-11-12-20(19-21)25-22-14-7-8-15-23(22)26(34)31-30-25/h7-8,11-15,19H,9-10,16-18H2,1-4H3,(H,29,33)(H,31,34)