4-[3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-3-oxidanyl-prop-1-ynyl]-3-(3-methoxyphenyl)benzenecarbonitrile

Systemtic Name: 4-[3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-3-oxidanyl-prop-1-ynyl]-3-(3-methoxyphenyl)benzenecarbonitrile Openeye Name: 4-[3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-3-hydroxy-prop-1-ynyl]-3-(3-methoxyphenyl)benzonitrile CAS Name: 4-[3-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-3-hydroxyprop-1-ynyl]-3-(3-methoxyphenyl)benzonitrile IUPAC Name: 4-[3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-3-hydroxyprop-1-ynyl]-3-(3-methoxyphenyl)benzonitrile Traditional Name: 4-[3-[3-(4-cyanobenzyl)imidazol-4-yl]-3-hydroxy-prop-1-ynyl]-3-(3-methoxyphenyl)benzonitrile Formula: C28H20N4O2 MolecularWeight: 444.484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C=CC(=C2)C#N)C#CC(C3=CN=CN3CC4=CC=C(C=C4)C#N)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C=CC(=C2)C#N)C#CC(C3=CN=CN3CC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C28H20N4O2/c1-34-25-4-2-3-24(14-25)26-13-22(16-30)9-10-23(26)11-12-28(33)27-17-31-19-32(27)18-21-7-5-20(15-29)6-8-21/h2-10,13-14,17,19,28,33H,18H2,1H3