N-(1,3-benzodioxol-5-ylmethyl)-2-(5-bromanyl-2,3-dihydroindol-1-yl)-4-ethoxy-pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-bromanyl-2,3-dihydroindol-1-yl)-4-ethoxy-pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-bromoindolin-1-yl)-4-ethoxy-pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-bromo-2,3-dihydroindol-1-yl)-4-ethoxy-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5-bromo-2,3-dihydroindol-1-yl)-4-ethoxypyrimidine-5-carboxamide Traditional Name: 2-(5-bromoindolin-1-yl)-4-ethoxy-N-piperonyl-pyrimidine-5-carboxamide Formula: C23H21BrN4O4 MolecularWeight: 497.34124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)N4CCC5=C4C=CC(=C5)Br

Isomeric SMILES

CCOC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)N4CCC5=C4C=CC(=C5)Br

InChI

InChI=1S/C23H21BrN4O4/c1-2-30-22-17(21(29)25-11-14-3-6-19-20(9-14)32-13-31-19)12-26-23(27-22)28-8-7-15-10-16(24)4-5-18(15)28/h3-6,9-10,12H,2,7-8,11,13H2,1H3,(H,25,29)