3-(1,3-benzodioxol-5-yl)-4-[3-(4-cyanophenyl)-3-(3-methylimidazol-4-yl)-3-oxidanyl-prop-1-ynyl]benzenecarbonitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-[3-(4-cyanophenyl)-3-(3-methylimidazol-4-yl)-3-oxidanyl-prop-1-ynyl]benzenecarbonitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-[3-(4-cyanophenyl)-3-hydroxy-3-(3-methylimidazol-4-yl)prop-1-ynyl]benzonitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[3-(4-cyanophenyl)-3-hydroxy-3-(3-methyl-4-imidazolyl)prop-1-ynyl]benzonitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-[3-(4-cyanophenyl)-3-hydroxy-3-(3-methylimidazol-4-yl)prop-1-ynyl]benzonitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-[3-(4-cyanophenyl)-3-hydroxy-3-(3-methylimidazol-4-yl)prop-1-ynyl]benzonitrile Formula: C28H18N4O3 MolecularWeight: 458.46752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C#CC2=C(C=C(C=C2)C#N)C3=CC4=C(C=C3)OCO4)(C5=CC=C(C=C5)C#N)O

Isomeric SMILES

CN1C=NC=C1C(C#CC2=C(C=C(C=C2)C#N)C3=CC4=C(C=C3)OCO4)(C5=CC=C(C=C5)C#N)O

InChI

InChI=1S/C28H18N4O3/c1-32-17-31-16-27(32)28(33,23-7-3-19(14-29)4-8-23)11-10-21-5-2-20(15-30)12-24(21)22-6-9-25-26(13-22)35-18-34-25/h2-9,12-13,16-17,33H,18H2,1H3