5-[4-[(E)-2-isocyanoethenyl]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulene

Systemtic Name: 5-[4-[(E)-2-isocyanoethenyl]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulene Openeye Name: 5-[4-[(E)-2-isocyanovinyl]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulene CAS Name: 5-[4-[(E)-2-isocyanoethenyl]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulene IUPAC Name: 5-[4-[(E)-2-isocyanoethenyl]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulene Traditional Name: 5-[4-[(E)-2-isocyanovinyl]phenyl]-6-phenyl-8,9-dihydro-7H-benzocycloheptene Formula: C26H21N MolecularWeight: 347.45164

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C=CC1=CC=C(C=C1)C2=C(CCCC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

[C-]#[N+]/C=C/C1=CC=C(C=C1)C2=C(CCCC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H21N/c1-27-19-18-20-14-16-23(17-15-20)26-24-12-6-5-10-22(24)11-7-13-25(26)21-8-3-2-4-9-21/h2-6,8-10,12,14-19H,7,11,13H2/b19-18+