3-phenyl-1-(3-pyrimidin-4-ylpiperidin-1-yl)prop-2-yn-1-one

Systemtic Name: 3-phenyl-1-(3-pyrimidin-4-ylpiperidin-1-yl)prop-2-yn-1-one Openeye Name: 3-phenyl-1-(3-pyrimidin-4-yl-1-piperidyl)prop-2-yn-1-one CAS Name: 3-phenyl-1-[3-(4-pyrimidinyl)-1-piperidinyl]-2-propyn-1-one IUPAC Name: 3-phenyl-1-(3-pyrimidin-4-ylpiperidin-1-yl)prop-2-yn-1-one Traditional Name: 3-phenyl-1-[3-(4-pyrimidyl)piperidino]prop-2-yn-1-one Formula: C18H17N3O MolecularWeight: 291.34708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)C3=NC=NC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)C3=NC=NC=C3

InChI

InChI=1S/C18H17N3O/c22-18(9-8-15-5-2-1-3-6-15)21-12-4-7-16(13-21)17-10-11-19-14-20-17/h1-3,5-6,10-11,14,16H,4,7,12-13H2