4-[3-[4-(1-adamantyl)-2-azanyl-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(1-adamantyl)-2-azanyl-1-methyl-5-oxidanylidene-imidazol-4-yl]phenyl]benzenecarbonitrile Openeye Name: 4-[3-[4-(1-adamantyl)-2-amino-1-methyl-5-oxo-imidazol-4-yl]phenyl]benzonitrile CAS Name: 4-[3-[4-(1-adamantyl)-2-amino-1-methyl-5-oxo-4-imidazolyl]phenyl]benzonitrile IUPAC Name: 4-[3-[4-(1-adamantyl)-2-amino-1-methyl-5-oxoimidazol-4-yl]phenyl]benzonitrile Traditional Name: 4-[3-[4-(1-adamantyl)-2-amino-5-keto-1-methyl-2-imidazolin-4-yl]phenyl]benzonitrile Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(N=C1N)(C2=CC=CC(=C2)C3=CC=C(C=C3)C#N)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C(=O)C(N=C1N)(C2=CC=CC(=C2)C3=CC=C(C=C3)C#N)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28N4O/c1-31-24(32)27(30-25(31)29,26-13-18-9-19(14-26)11-20(10-18)15-26)23-4-2-3-22(12-23)21-7-5-17(16-28)6-8-21/h2-8,12,18-20H,9-11,13-15H2,1H3,(H2,29,30)