N-ethyl-2-(4-oxidanylidene-2-pyridin-4-yl-1H-pyrimidin-6-yl)-4-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: N-ethyl-2-(4-oxidanylidene-2-pyridin-4-yl-1H-pyrimidin-6-yl)-4-(phenylmethyl)piperazine-1-carboxamide Openeye Name: 4-benzyl-N-ethyl-2-[4-oxo-2-(4-pyridyl)-1H-pyrimidin-6-yl]piperazine-1-carboxamide CAS Name: N-ethyl-2-(4-oxo-2-pyridin-4-yl-1H-pyrimidin-6-yl)-4-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-benzyl-N-ethyl-2-(4-oxo-2-pyridin-4-yl-1H-pyrimidin-6-yl)piperazine-1-carboxamide Traditional Name: 4-benzyl-N-ethyl-2-[4-keto-2-(4-pyridyl)-1H-pyrimidin-6-yl]piperazine-1-carboxamide Formula: C23H26N6O2 MolecularWeight: 418.49154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1C2=CC(=O)N=C(N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)N1CCN(CC1C2=CC(=O)N=C(N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N6O2/c1-2-25-23(31)29-13-12-28(15-17-6-4-3-5-7-17)16-20(29)19-14-21(30)27-22(26-19)18-8-10-24-11-9-18/h3-11,14,20H,2,12-13,15-16H2,1H3,(H,25,31)(H,26,27,30)