tert-butyl 4-[[2-(2-methylpropyl)-3-oxidanylidene-6-(4-phenylphenyl)pyridazin-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(2-methylpropyl)-3-oxidanylidene-6-(4-phenylphenyl)pyridazin-4-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-isobutyl-3-oxo-6-(4-phenylphenyl)pyridazin-4-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(2-methylpropyl)-3-oxo-6-(4-phenylphenyl)-4-pyridazinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(2-methylpropyl)-3-oxo-6-(4-phenylphenyl)pyridazin-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[2-isobutyl-3-keto-6-(4-phenylphenyl)pyridazin-4-yl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H38N4O3 MolecularWeight: 502.64772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)CN4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)CN4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H38N4O3/c1-22(2)20-34-28(35)26(21-32-15-17-33(18-16-32)29(36)37-30(3,4)5)19-27(31-34)25-13-11-24(12-14-25)23-9-7-6-8-10-23/h6-14,19,22H,15-18,20-21H2,1-5H3