N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide

Systemtic Name: N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide Openeye Name: N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide CAS Name: N-(1-adamantyl)-4-[(1-oxo-3-phenylprop-2-ynyl)amino]benzamide IUPAC Name: N-(1-adamantyl)-4-(3-phenylprop-2-ynoylamino)benzamide Traditional Name: N-(1-adamantyl)-4-[(3-phenylpropioloyl)amino]benzamide Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)NC(=O)C#CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)NC(=O)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O2/c29-24(11-6-18-4-2-1-3-5-18)27-23-9-7-22(8-10-23)25(30)28-26-15-19-12-20(16-26)14-21(13-19)17-26/h1-5,7-10,19-21H,12-17H2,(H,27,29)(H,28,30)