3,6-bis[bis(naphthalen-2-ylmethyl)amino]-5-(1-cyano-1,2-dinaphthalen-2-yl-ethyl)pyrazine-2-carbonitrile

Systemtic Name: 3,6-bis[bis(naphthalen-2-ylmethyl)amino]-5-(1-cyano-1,2-dinaphthalen-2-yl-ethyl)pyrazine-2-carbonitrile Openeye Name: 3,6-bis[bis(2-naphthylmethyl)amino]-5-[1-cyano-1,2-bis(2-naphthyl)ethyl]pyrazine-2-carbonitrile CAS Name: 3,6-bis[bis(2-naphthalenylmethyl)amino]-5-[1-cyano-1,2-bis(2-naphthalenyl)ethyl]-2-pyrazinecarbonitrile IUPAC Name: 3,6-bis[bis(naphthalen-2-ylmethyl)amino]-5-(1-cyano-1,2-dinaphthalen-2-ylethyl)pyrazine-2-carbonitrile Traditional Name: 3,6-bis[bis(2-naphthylmethyl)amino]-5-[1-cyano-1,2-bis(2-naphthyl)ethyl]pyrazinonitrile Formula: C72H52N6 MolecularWeight: 1001.22348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C#N)(C3=CC4=CC=CC=C4C=C3)C5=NC(=C(N=C5N(CC6=CC7=CC=CC=C7C=C6)CC8=CC9=CC=CC=C9C=C8)C#N)N(CC1=CC2=CC=CC=C2C=C1)CC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C#N)(C3=CC4=CC=CC=C4C=C3)C5=NC(=C(N=C5N(CC6=CC7=CC=CC=C7C=C6)CC8=CC9=CC=CC=C9C=C8)C#N)N(CC1=CC2=CC=CC=C2C=C1)CC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C72H52N6/c73-44-68-70(77(45-51-26-31-56-14-2-8-20-62(56)38-51)46-52-27-32-57-15-3-9-21-63(57)39-52)76-69(72(49-74,67-36-35-60-18-6-12-24-66(60)42-67)43-50-25-30-55-13-1-7-19-61(55)37-50)71(75-68)78(47-53-28-33-58-16-4-10-22-64(58)40-53)48-54-29-34-59-17-5-11-23-65(59)41-54/h1-42H,43,45-48H2