N-[3-[(3-cyanophenyl)carbonylamino]-1-adamantyl]-3-ethynyl-benzamide

Systemtic Name: N-[3-[(3-cyanophenyl)carbonylamino]-1-adamantyl]-3-ethynyl-benzamide Openeye Name: N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-3-ethynyl-benzamide CAS Name: N-[3-[[(3-cyanophenyl)-oxomethyl]amino]-1-adamantyl]-3-ethynylbenzamide IUPAC Name: N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-3-ethynylbenzamide Traditional Name: N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-3-ethynyl-benzamide Formula: C27H25N3O2 MolecularWeight: 423.5063

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C(=O)NC23CC4CC(C2)CC(C4)(C3)NC(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C#CC1=CC(=CC=C1)C(=O)NC23CC4CC(C2)CC(C4)(C3)NC(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H25N3O2/c1-2-18-5-3-7-22(10-18)24(31)29-26-12-20-9-21(13-26)15-27(14-20,17-26)30-25(32)23-8-4-6-19(11-23)16-28/h1,3-8,10-11,20-21H,9,12-15,17H2,(H,29,31)(H,30,32)