4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-oct-1-ynyl-benzenecarbonitrile

Systemtic Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-oct-1-ynyl-benzenecarbonitrile Openeye Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-oct-1-ynyl-benzonitrile CAS Name: 4-[[(4-cyanophenyl)-(3-methyl-4-imidazolyl)methoxy]methyl]-3-oct-1-ynylbenzonitrile IUPAC Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-oct-1-ynylbenzonitrile Traditional Name: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-oct-1-ynyl-benzonitrile Formula: C28H28N4O MolecularWeight: 436.54812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=C(C=CC(=C1)C#N)COC(C2=CC=C(C=C2)C#N)C3=CN=CN3C

Isomeric SMILES

CCCCCCC#CC1=C(C=CC(=C1)C#N)COC(C2=CC=C(C=C2)C#N)C3=CN=CN3C

InChI

InChI=1S/C28H28N4O/c1-3-4-5-6-7-8-9-25-16-23(18-30)12-15-26(25)20-33-28(27-19-31-21-32(27)2)24-13-10-22(17-29)11-14-24/h10-16,19,21,28H,3-7,20H2,1-2H3