4-[3,5-bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3,5-triazinan-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3,5-bis(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,3,5-triazinan-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3,5-bis(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,3,5-triazinan-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3,5-bis(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,3,5-triazinan-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3,5-bis(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3,5-triazinan-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3,5-bis(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1,3,5-triazinan-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C36H39N9O3 MolecularWeight: 645.75336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3CN(CN(C3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C6=C(N(N(C6=O)C7=CC=CC=C7)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3CN(CN(C3)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C)C6=C(N(N(C6=O)C7=CC=CC=C7)C)C

InChI

InChI=1S/C36H39N9O3/c1-25-31(34(46)43(37(25)4)28-16-10-7-11-17-28)40-22-41(32-26(2)38(5)44(35(32)47)29-18-12-8-13-19-29)24-42(23-40)33-27(3)39(6)45(36(33)48)30-20-14-9-15-21-30/h7-21H,22-24H2,1-6H3