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

Systemtic Name: tert-butyl 4-[[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[1-oxo-4-(p-tolyl)phthalazin-2-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[1-keto-4-(p-tolyl)phthalazin-2-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H30N4O3/c1-18-9-11-19(12-10-18)22-20-7-5-6-8-21(20)23(30)29(26-22)17-27-13-15-28(16-14-27)24(31)32-25(2,3)4/h5-12H,13-17H2,1-4H3