3-tert-butyl-5-[[4-methyl-2,6-bis[(2,4,6-trimethylphenyl)amino]pyridin-3-yl]diazenyl]-1-pyrimidin-2-yl-pyrazole-4-carbonitrile

Systemtic Name: 3-tert-butyl-5-[[4-methyl-2,6-bis[(2,4,6-trimethylphenyl)amino]pyridin-3-yl]diazenyl]-1-pyrimidin-2-yl-pyrazole-4-carbonitrile Openeye Name: 3-tert-butyl-5-[[4-methyl-2,6-bis(2,4,6-trimethylanilino)-3-pyridyl]azo]-1-pyrimidin-2-yl-pyrazole-4-carbonitrile CAS Name: 3-tert-butyl-5-[[4-methyl-2,6-bis(2,4,6-trimethylanilino)-3-pyridinyl]azo]-1-(2-pyrimidinyl)-4-pyrazolecarbonitrile IUPAC Name: 3-tert-butyl-5-[[4-methyl-2,6-bis(2,4,6-trimethylanilino)pyridin-3-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile Traditional Name: 3-tert-butyl-5-[(2,6-dimesidino-4-methyl-3-pyridyl)azo]-1-(2-pyrimidyl)pyrazole-4-carbonitrile Formula: C36H40N10 MolecularWeight: 612.7698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(=C(C(=C2)C)N=NC3=C(C(=NN3C4=NC=CC=N4)C(C)(C)C)C#N)NC5=C(C=C(C=C5C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(=C(C(=C2)C)N=NC3=C(C(=NN3C4=NC=CC=N4)C(C)(C)C)C#N)NC5=C(C=C(C=C5C)C)C)C

InChI

InChI=1S/C36H40N10/c1-20-14-22(3)29(23(4)15-20)40-28-18-26(7)31(33(41-28)42-30-24(5)16-21(2)17-25(30)6)43-44-34-27(19-37)32(36(8,9)10)45-46(34)35-38-12-11-13-39-35/h11-18H,1-10H3,(H2,40,41,42)