4-[5-[(4-butylphenyl)amino]benzo[e][1,3]benzoxazol-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[(4-butylphenyl)amino]benzo[e][1,3]benzoxazol-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-butylanilino)benzo[e][1,3]benzoxazol-2-yl]benzonitrile CAS Name: 4-[5-(4-butylanilino)-2-benzo[e][1,3]benzoxazolyl]benzonitrile IUPAC Name: 4-[5-(4-butylanilino)benzo[e][1,3]benzoxazol-2-yl]benzonitrile Traditional Name: 4-[5-(4-butylanilino)benzo[e][1,3]benzoxazol-2-yl]benzonitrile Formula: C28H23N3O MolecularWeight: 417.50172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=CC3=C(C4=CC=CC=C42)N=C(O3)C5=CC=C(C=C5)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=CC3=C(C4=CC=CC=C42)N=C(O3)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H23N3O/c1-2-3-6-19-11-15-22(16-12-19)30-25-17-26-27(24-8-5-4-7-23(24)25)31-28(32-26)21-13-9-20(18-29)10-14-21/h4-5,7-17,30H,2-3,6H2,1H3