3-(4-dimethylaminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide

Systemtic Name: 3-(4-dimethylaminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide Openeye Name: 3-(4-dimethylaminophenyl)-N-[(3S)-1-pyrimidin-2-yl-3-piperidyl]propanamide CAS Name: 3-(4-dimethylaminophenyl)-N-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]propanamide IUPAC Name: 3-(4-dimethylaminophenyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide Traditional Name: 3-(4-dimethylaminophenyl)-N-[(3S)-1-(2-pyrimidyl)-3-piperidyl]propionamide Formula: C20H27N5O MolecularWeight: 353.46128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CCC(=O)NC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CCC(=O)N[C@H]2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O/c1-24(2)18-9-6-16(7-10-18)8-11-19(26)23-17-5-3-14-25(15-17)20-21-12-4-13-22-20/h4,6-7,9-10,12-13,17H,3,5,8,11,14-15H2,1-2H3,(H,23,26)/t17-/m0/s1