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

Systemtic Name: 4-[3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-3-oxidanyl-prop-1-ynyl]-3-(3-ethoxyphenyl)benzenecarbonitrile Openeye Name: 4-[3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-3-hydroxy-prop-1-ynyl]-3-(3-ethoxyphenyl)benzonitrile CAS Name: 4-[3-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-3-hydroxyprop-1-ynyl]-3-(3-ethoxyphenyl)benzonitrile IUPAC Name: 4-[3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-3-hydroxyprop-1-ynyl]-3-(3-ethoxyphenyl)benzonitrile Traditional Name: 4-[3-[3-(4-cyanobenzyl)imidazol-4-yl]-3-hydroxy-prop-1-ynyl]-3-m-phenetyl-benzonitrile Formula: C29H22N4O2 MolecularWeight: 458.51058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(C=CC(=C2)C#N)C#CC(C3=CN=CN3CC4=CC=C(C=C4)C#N)O

Isomeric SMILES

CCOC1=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/C29H22N4O2/c1-2-35-26-5-3-4-25(15-26)27-14-23(17-31)10-11-24(27)12-13-29(34)28-18-32-20-33(28)19-22-8-6-21(16-30)7-9-22/h3-11,14-15,18,20,29,34H,2,19H2,1H3