N-[3-[ethyl(phenyl)amino]propyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[3-[ethyl(phenyl)amino]propyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[3-(N-ethylanilino)propyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[3-(N-ethylanilino)propyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[3-(N-ethylanilino)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[3-(N-ethylanilino)propyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C20H28N6O MolecularWeight: 368.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)N1CCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCN(CCCNC(=O)N1CCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H28N6O/c1-2-24(18-8-4-3-5-9-18)13-7-12-23-20(27)26-16-14-25(15-17-26)19-21-10-6-11-22-19/h3-6,8-11H,2,7,12-17H2,1H3,(H,23,27)