4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoranyl-2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoranyl-2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoroindolin-1-yl)-N-(2-pyridylmethyl)pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-pyridinylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoro-2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 2-(5-fluoroindolin-1-yl)-4-piperonyloxy-N-(2-pyridylmethyl)pyrimidine-5-carboxamide Formula: C27H22FN5O4 MolecularWeight: 499.493083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)F)C3=NC=C(C(=N3)OCC4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC=CC=N6

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)F)C3=NC=C(C(=N3)OCC4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC=CC=N6

InChI

InChI=1S/C27H22FN5O4/c28-19-5-6-22-18(12-19)8-10-33(22)27-31-14-21(25(34)30-13-20-3-1-2-9-29-20)26(32-27)35-15-17-4-7-23-24(11-17)37-16-36-23/h1-7,9,11-12,14H,8,10,13,15-16H2,(H,30,34)