N-methyl-2-[(2S)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[(2S)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)-2-piperazinyl]-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[(2S)-3-keto-1-(3-phenylpropyl)piperazin-2-yl]-N-methyl-N-(4-pyrimidylmethyl)acetamide Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=NC=C1)C(=O)CC2C(=O)NCCN2CCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=NC=NC=C1)C(=O)C[C@H]2C(=O)NCCN2CCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c1-25(15-18-9-10-22-16-24-18)20(27)14-19-21(28)23-11-13-26(19)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16,19H,5,8,11-15H2,1H3,(H,23,28)/t19-/m0/s1