4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methoxymethyl]-3-(4-ethanoylphenyl)benzenecarbonitrile

Systemtic Name: 4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methoxymethyl]-3-(4-ethanoylphenyl)benzenecarbonitrile Openeye Name: 3-(4-acetylphenyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methoxymethyl]benzonitrile CAS Name: 3-(4-acetylphenyl)-4-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methoxymethyl]benzonitrile IUPAC Name: 3-(4-acetylphenyl)-4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methoxymethyl]benzonitrile Traditional Name: 3-(4-acetylphenyl)-4-[[3-(4-cyanobenzyl)imidazol-4-yl]methoxymethyl]benzonitrile Formula: C28H22N4O2 MolecularWeight: 446.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)C#N)COCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=C(C=CC(=C2)C#N)COCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H22N4O2/c1-20(33)24-8-10-25(11-9-24)28-12-23(14-30)6-7-26(28)17-34-18-27-15-31-19-32(27)16-22-4-2-21(13-29)3-5-22/h2-12,15,19H,16-18H2,1H3