tert-butyl 4-[4-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C26H31N5O4/c1-26(2,3)35-25(34)31-15-13-30(14-16-31)19-11-9-18(10-12-19)27-23(32)17-22-20-7-5-6-8-21(20)24(33)29(4)28-22/h5-12H,13-17H2,1-4H3,(H,27,32)