1-[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol

Systemtic Name: 1-[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol Openeye Name: 1-[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol CAS Name: 1-[5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]-4-piperidinol IUPAC Name: 1-[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol Traditional Name: 1-[5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperidin-4-ol Formula: C17H16ClN3O MolecularWeight: 313.78144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=NC=NC=C2C#CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1O)C2=NC=NC=C2C#CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O/c18-15-5-2-13(3-6-15)1-4-14-11-19-12-20-17(14)21-9-7-16(22)8-10-21/h2-3,5-6,11-12,16,22H,7-10H2