4-[1-(1-adamantylmethyl)-3,3-bis(1H-imidazol-5-ylmethyl)-2-oxidanylidene-indol-6-yl]benzenecarbonitrile

Systemtic Name: 4-[1-(1-adamantylmethyl)-3,3-bis(1H-imidazol-5-ylmethyl)-2-oxidanylidene-indol-6-yl]benzenecarbonitrile Openeye Name: 4-[1-(1-adamantylmethyl)-3,3-bis(1H-imidazol-5-ylmethyl)-2-oxo-indolin-6-yl]benzonitrile CAS Name: 4-[1-(1-adamantylmethyl)-3,3-bis(1H-imidazol-5-ylmethyl)-2-oxo-6-indolyl]benzonitrile IUPAC Name: 4-[1-(1-adamantylmethyl)-3,3-bis(1H-imidazol-5-ylmethyl)-2-oxoindol-6-yl]benzonitrile Traditional Name: 4-[1-(1-adamantylmethyl)-3,3-bis(1H-imidazol-5-ylmethyl)-2-keto-indolin-6-yl]benzonitrile Formula: C34H34N6O MolecularWeight: 542.67336

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C=CC(=C5)C6=CC=C(C=C6)C#N)C(C4=O)(CC7=CN=CN7)CC8=CN=CN8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C=CC(=C5)C6=CC=C(C=C6)C#N)C(C4=O)(CC7=CN=CN7)CC8=CN=CN8

InChI

InChI=1S/C34H34N6O/c35-16-22-1-3-26(4-2-22)27-5-6-30-31(10-27)40(19-33-11-23-7-24(12-33)9-25(8-23)13-33)32(41)34(30,14-28-17-36-20-38-28)15-29-18-37-21-39-29/h1-6,10,17-18,20-21,23-25H,7-9,11-15,19H2,(H,36,38)(H,37,39)