3-(1-adamantylcarbamoylamino)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[3-(2-pyridin-2-ylethynyl)phenyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]propionamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

InChI

InChI=1S/C27H30N4O2/c32-25(30-24-6-3-4-19(15-24)7-8-23-5-1-2-10-28-23)9-11-29-26(33)31-27-16-20-12-21(17-27)14-22(13-20)18-27/h1-6,10,15,20-22H,9,11-14,16-18H2,(H,30,32)(H2,29,31,33)