4-[(2Z)-2-[4-(dipyridin-4-ylmethyl)-5-oxidanylidene-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2Z)-2-[4-(dipyridin-4-ylmethyl)-5-oxidanylidene-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2Z)-2-[4-[bis(4-pyridyl)methyl]-5-oxo-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile CAS Name: 4-[(2Z)-2-[4-(dipyridin-4-ylmethyl)-5-oxo-1-(3-pyrrolidinylmethyl)-2-imidazolidinylidene]-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2Z)-2-[4-(dipyridin-4-ylmethyl)-5-oxo-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile Traditional Name: 4-[(2Z)-2-[4-[bis(4-pyridyl)methyl]-5-keto-1-(pyrrolidin-3-ylmethyl)imidazolidin-2-ylidene]acetyl]benzonitrile Formula: C28H26N6O2 MolecularWeight: 478.54504

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CN2C(=CC(=O)C3=CC=C(C=C3)C#N)NC(C2=O)C(C4=CC=NC=C4)C5=CC=NC=C5

Isomeric SMILES

C1CNCC1CN2/C(=C\C(=O)C3=CC=C(C=C3)C#N)/NC(C2=O)C(C4=CC=NC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H26N6O2/c29-16-19-1-3-21(4-2-19)24(35)15-25-33-27(28(36)34(25)18-20-5-10-32-17-20)26(22-6-11-30-12-7-22)23-8-13-31-14-9-23/h1-4,6-9,11-15,20,26-27,32-33H,5,10,17-18H2/b25-15-