N-[[4-(2-adamantylcarbamoyl)phenyl]methyl]-3-cyano-benzamide

Systemtic Name: N-[[4-(2-adamantylcarbamoyl)phenyl]methyl]-3-cyano-benzamide Openeye Name: N-[[4-(2-adamantylcarbamoyl)phenyl]methyl]-3-cyano-benzamide CAS Name: N-[[4-[(2-adamantylamino)-oxomethyl]phenyl]methyl]-3-cyanobenzamide IUPAC Name: N-[[4-(2-adamantylcarbamoyl)phenyl]methyl]-3-cyanobenzamide Traditional Name: N-[4-(2-adamantylcarbamoyl)benzyl]-3-cyano-benzamide Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(C=C4)CNC(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=C(C=C4)CNC(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C26H27N3O2/c27-14-17-2-1-3-21(9-17)25(30)28-15-16-4-6-20(7-5-16)26(31)29-24-22-10-18-8-19(12-22)13-23(24)11-18/h1-7,9,18-19,22-24H,8,10-13,15H2,(H,28,30)(H,29,31)