3-ethynyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

Systemtic Name: 3-ethynyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide Openeye Name: 3-ethynyl-N-(1-pyrimidin-2-yl-3-piperidyl)benzamide CAS Name: 3-ethynyl-N-[1-(2-pyrimidinyl)-3-piperidinyl]benzamide IUPAC Name: 3-ethynyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide Traditional Name: 3-ethynyl-N-[1-(2-pyrimidyl)-3-piperidyl]benzamide Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C(=O)NC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

C#CC1=CC(=CC=C1)C(=O)NC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C18H18N4O/c1-2-14-6-3-7-15(12-14)17(23)21-16-8-4-11-22(13-16)18-19-9-5-10-20-18/h1,3,5-7,9-10,12,16H,4,8,11,13H2,(H,21,23)