N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[4-methoxy-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[4-methoxy-3-(2-oxo-1-pyrrolidinyl)phenyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)-4-methoxy-phenyl]-1-(2-pyrimidyl)isonipecotamide Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC=N3)N4CCCC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC=N3)N4CCCC4=O

InChI

InChI=1S/C21H25N5O3/c1-29-18-6-5-16(14-17(18)26-11-2-4-19(26)27)24-20(28)15-7-12-25(13-8-15)21-22-9-3-10-23-21/h3,5-6,9-10,14-15H,2,4,7-8,11-13H2,1H3,(H,24,28)