N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[4-(diethylaminomethyl)benzyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C21H30N6O MolecularWeight: 382.5025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H30N6O/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-5-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28)