1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]but-3-en-1-one

Systemtic Name: 1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]but-3-en-1-one Openeye Name: 1-[3-(1-pyrimidin-2-yl-4-piperidyl)pyrrolidin-1-yl]but-3-en-1-one CAS Name: 1-[3-[1-(2-pyrimidinyl)-4-piperidinyl]-1-pyrrolidinyl]-3-buten-1-one IUPAC Name: 1-[3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]but-3-en-1-one Traditional Name: 1-[3-[1-(2-pyrimidyl)-4-piperidyl]pyrrolidino]but-3-en-1-one Formula: C17H24N4O MolecularWeight: 300.39866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)N1CCC(C1)C2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C=CCC(=O)N1CCC(C1)C2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H24N4O/c1-2-4-16(22)21-12-7-15(13-21)14-5-10-20(11-6-14)17-18-8-3-9-19-17/h2-3,8-9,14-15H,1,4-7,10-13H2