3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3-piperidyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidinyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3-piperidyl]-1-pyrrolidino-propan-1-one Formula: C21H29N5O MolecularWeight: 367.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C1CCN(C1)C(=O)CCC2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C21H29N5O/c27-20(25-13-1-2-14-25)9-8-18-6-3-12-24(16-18)17-19-7-4-15-26(19)21-22-10-5-11-23-21/h4-5,7,10-11,15,18H,1-3,6,8-9,12-14,16-17H2