(3Z)-3-[1-(2-adamantylmethyl)-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-adamantylmethyl)-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-adamantylmethyl)-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-adamantylmethyl)-3-methyl-5-oxo-4,4-dipyridin-4-yl-2-imidazolidinylidene]-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: (3Z)-2-acetyl-3-[1-(2-adamantylmethyl)-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-adamantylmethyl)-5-keto-3-methyl-4,4-bis(4-pyridyl)imidazolidin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile Formula: C34H35N5O2 MolecularWeight: 545.674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CCC1=C2N(C(C(=O)N2CC3C4CC5CC(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)N2CC3C4CC5CC(C4)CC3C5)(C6=CC=NC=C6)C7=CC=NC=C7)C)C#N

InChI

InChI=1S/C34H35N5O2/c1-21(40)31-24(19-35)4-3-5-29(31)32-38(2)34(27-6-10-36-11-7-27,28-8-12-37-13-9-28)33(41)39(32)20-30-25-15-22-14-23(17-25)18-26(30)16-22/h3-4,6-13,22-23,25-26,30H,5,14-18,20H2,1-2H3/b32-29-