2,5-bis[(E)-2-[4-[(4-butoxyphenyl)-phenyl-amino]phenyl]ethenyl]-4-isocyano-benzenecarbonitrile

Systemtic Name: 2,5-bis[(E)-2-[4-[(4-butoxyphenyl)-phenyl-amino]phenyl]ethenyl]-4-isocyano-benzenecarbonitrile Openeye Name: 2,5-bis[(E)-2-[4-(N-(4-butoxyphenyl)anilino)phenyl]vinyl]-4-isocyano-benzonitrile CAS Name: 2,5-bis[(E)-2-[4-(N-(4-butoxyphenyl)anilino)phenyl]ethenyl]-4-isocyanobenzonitrile IUPAC Name: 2,5-bis[(E)-2-[4-(N-(4-butoxyphenyl)anilino)phenyl]ethenyl]-4-isocyanobenzonitrile Traditional Name: 2,5-bis[(E)-2-[4-(N-(4-butoxyphenyl)anilino)phenyl]vinyl]-4-isocyano-benzonitrile Formula: C56H50N4O2 MolecularWeight: 811.0218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C=CC4=CC(=C(C=C4C#N)C=CC5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)OCCCC)[N+]#[C-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)/C=C/C4=CC(=C(C=C4C#N)/C=C/C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)OCCCC)[N+]#[C-]

InChI

InChI=1S/C56H50N4O2/c1-4-6-38-61-54-34-30-52(31-35-54)59(48-14-10-8-11-15-48)50-26-20-43(21-27-50)18-24-45-41-56(58-3)46(40-47(45)42-57)25-19-44-22-28-51(29-23-44)60(49-16-12-9-13-17-49)53-32-36-55(37-33-53)62-39-7-5-2/h8-37,40-41H,4-7,38-39H2,1-2H3/b24-18+,25-19+