4-ethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide

Systemtic Name: 4-ethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide Openeye Name: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-ethoxy-pyrimidine-5-carboxamide CAS Name: 4-ethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-pyrimidinecarboxamide IUPAC Name: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-ethoxypyrimidine-5-carboxamide Traditional Name: N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-ethoxy-pyrimidine-5-carboxamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4

Isomeric SMILES

CCOC1=NC=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2/c1-2-27-21-19(12-22-14-23-21)20(26)24-16-10-17-8-9-18(11-16)25(17)13-15-6-4-3-5-7-15/h3-7,12,14,16-18H,2,8-11,13H2,1H3,(H,24,26)