4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-[(3-methylisoxazol-5-yl)methyl]-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperazine-1-carboxamide CAS Name: 4-[(3-methyl-5-isoxazolyl)methyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[3-(2-thiophen-2-ylethynyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-[(3-methylisoxazol-5-yl)methyl]-N-[3-[2-(2-thienyl)ethynyl]phenyl]piperazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C22H22N4O2S/c1-17-14-20(28-24-17)16-25-9-11-26(12-10-25)22(27)23-19-5-2-4-18(15-19)7-8-21-6-3-13-29-21/h2-6,13-15H,9-12,16H2,1H3,(H,23,27)