4-[(2Z)-2-[4,4-bis(1H-imidazol-5-ylmethyl)-5-oxidanylidene-1-[(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methyl]imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2Z)-2-[4,4-bis(1H-imidazol-5-ylmethyl)-5-oxidanylidene-1-[(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methyl]imidazolidin-2-ylidene]ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2Z)-2-[4,4-bis(1H-imidazol-5-ylmethyl)-5-oxo-1-[(2,6,6-trimethylnorpinan-3-yl)methyl]imidazolidin-2-ylidene]acetyl]benzonitrile CAS Name: 4-[(2Z)-2-[4,4-bis(1H-imidazol-5-ylmethyl)-5-oxo-1-[(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methyl]-2-imidazolidinylidene]-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2Z)-2-[4,4-bis(1H-imidazol-5-ylmethyl)-5-oxo-1-[(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methyl]imidazolidin-2-ylidene]acetyl]benzonitrile Traditional Name: 4-[(2Z)-2-[4,4-bis(1H-imidazol-5-ylmethyl)-5-keto-1-[(2,6,6-trimethylnorpinan-3-yl)methyl]imidazolidin-2-ylidene]acetyl]benzonitrile Formula: C31H35N7O2 MolecularWeight: 537.6553

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC2CC1C2(C)C)CN3C(=CC(=O)C4=CC=C(C=C4)C#N)NC(C3=O)(CC5=CN=CN5)CC6=CN=CN6

Isomeric SMILES

CC1C(CC2CC1C2(C)C)CN3/C(=C\C(=O)C4=CC=C(C=C4)C#N)/NC(C3=O)(CC5=CN=CN5)CC6=CN=CN6

InChI

InChI=1S/C31H35N7O2/c1-19-22(8-23-9-26(19)30(23,2)3)16-38-28(10-27(39)21-6-4-20(13-32)5-7-21)37-31(29(38)40,11-24-14-33-17-35-24)12-25-15-34-18-36-25/h4-7,10,14-15,17-19,22-23,26,37H,8-9,11-12,16H2,1-3H3,(H,33,35)(H,34,36)/b28-10-