4-[(2E)-2-[1-[(3-fluorophenyl)methyl]-5-oxidanylidene-4,4-bis(pyridin-4-ylmethyl)imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2E)-2-[1-[(3-fluorophenyl)methyl]-5-oxidanylidene-4,4-bis(pyridin-4-ylmethyl)imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2E)-2-[1-[(3-fluorophenyl)methyl]-5-oxo-4,4-bis(4-pyridylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile CAS Name: 4-[(2E)-2-[1-[(3-fluorophenyl)methyl]-5-oxo-4,4-bis(pyridin-4-ylmethyl)-2-imidazolidinylidene]-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2E)-2-[1-[(3-fluorophenyl)methyl]-5-oxo-4,4-bis(pyridin-4-ylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile Traditional Name: 4-[(2E)-2-[1-(3-fluorobenzyl)-5-keto-4,4-bis(4-pyridylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile Formula: C31H24FN5O2 MolecularWeight: 517.552963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CN2C(=CC(=O)C3=CC=C(C=C3)C#N)NC(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5

Isomeric SMILES

C1=CC(=CC(=C1)F)CN2/C(=C/C(=O)C3=CC=C(C=C3)C#N)/NC(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5

InChI

InChI=1S/C31H24FN5O2/c32-27-3-1-2-25(16-27)21-37-29(17-28(38)26-6-4-24(20-33)5-7-26)36-31(30(37)39,18-22-8-12-34-13-9-22)19-23-10-14-35-15-11-23/h1-17,36H,18-19,21H2/b29-17+