(2,6-ditert-butyl-4-methyl-cyclohexyl) 2-methyl-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate

Systemtic Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-methyl-4-oxidanylidene-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Openeye Name: (2,6-ditert-butyl-4-methyl-cyclohexyl) 2-methyl-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate CAS Name: 2-methyl-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid (2,6-ditert-butyl-4-methylcyclohexyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylcyclohexyl) 2-methyl-4-oxo-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Traditional Name: 4-keto-2-methyl-7-phenyl-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid (2,6-ditert-butyl-4-methyl-cyclohexyl) ester Formula: C29H39N3O3 MolecularWeight: 477.63826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3NC(=NC(=O)N3C=C2C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1CC(C(C(C1)C(C)(C)C)OC(=O)C2=C3NC(=NC(=O)N3C=C2C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C29H39N3O3/c1-17-14-21(28(3,4)5)24(22(15-17)29(6,7)8)35-26(33)23-20(19-12-10-9-11-13-19)16-32-25(23)30-18(2)31-27(32)34/h9-13,16-17,21-22,24H,14-15H2,1-8H3,(H,30,31,34)