3,6-bis[bis[(3,5-ditert-butylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile

Systemtic Name: 3,6-bis[bis[(3,5-ditert-butylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile Openeye Name: 3,6-bis[bis[(3,5-ditert-butylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile CAS Name: 3,6-bis[bis[(3,5-ditert-butylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile IUPAC Name: 3,6-bis[bis[(3,5-ditert-butylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile Traditional Name: 3,6-bis[bis(3,5-ditert-butylbenzyl)amino]pyrazine-2,5-dicarbonitrile Formula: C66H92N6 MolecularWeight: 969.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CN(CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C3=C(N=C(C(=N3)C#N)N(CC4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)CC5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C#N)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CN(CC2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C3=C(N=C(C(=N3)C#N)N(CC4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)CC5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)C#N)C(C)(C)C

InChI

InChI=1S/C66H92N6/c1-59(2,3)47-25-43(26-48(33-47)60(4,5)6)39-71(40-44-27-49(61(7,8)9)34-50(28-44)62(10,11)12)57-55(37-67)70-58(56(38-68)69-57)72(41-45-29-51(63(13,14)15)35-52(30-45)64(16,17)18)42-46-31-53(65(19,20)21)36-54(32-46)66(22,23)24/h25-36H,39-42H2,1-24H3