(3Z)-3-[1-(2-adamantyl)-3-methyl-5-oxidanylidene-4,4-dipyridin-4-yl-imidazolidin-2-ylidene]-2-ethanoyl-cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: (3Z)-3-[1-(2-adamantyl)-3-methyl-5-oxidanylidene-4,4-dipyridin-4-yl-imidazolidin-2-ylidene]-2-ethanoyl-cyclohexa-1,5-diene-1-carbonitrile Openeye Name: (3Z)-2-acetyl-3-[1-(2-adamantyl)-3-methyl-5-oxo-4,4-bis(4-pyridyl)imidazolidin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile CAS Name: (3Z)-2-acetyl-3-[1-(2-adamantyl)-3-methyl-5-oxo-4,4-dipyridin-4-yl-2-imidazolidinylidene]-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: (3Z)-2-acetyl-3-[1-(2-adamantyl)-3-methyl-5-oxo-4,4-dipyridin-4-ylimidazolidin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile Traditional Name: (3Z)-2-acetyl-3-[1-(2-adamantyl)-5-keto-3-methyl-4,4-bis(4-pyridyl)imidazolidin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile Formula: C33H33N5O2 MolecularWeight: 531.64742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CCC1=C2N(C(C(=O)N2C3C4CC5CC(C4)CC3C5)(C6=CC=NC=C6)C7=CC=NC=C7)C)C#N

Isomeric SMILES

CC(=O)C\1=C(C=CC/C1=C/2\N(C(C(=O)N2C3C4CC5CC(C4)CC3C5)(C6=CC=NC=C6)C7=CC=NC=C7)C)C#N

InChI

InChI=1S/C33H33N5O2/c1-20(39)29-23(19-34)4-3-5-28(29)31-37(2)33(26-6-10-35-11-7-26,27-8-12-36-13-9-27)32(40)38(31)30-24-15-21-14-22(17-24)18-25(30)16-21/h3-4,6-13,21-22,24-25,30H,5,14-18H2,1-2H3/b31-28-