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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoranyl-2,3-dihydroindol-1-yl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoroindolin-1-yl)-N-(3-pyridylmethyl)pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyridinylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoro-2,3-dihydroindol-1-yl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 2-(5-fluoroindolin-1-yl)-4-piperonyloxy-N-(3-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=CN=CC=C6

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)F)C3=NC=C(C(=N3)OCC4=CC5=C(C=C4)OCO5)C(=O)NCC6=CN=CC=C6

InChI

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