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

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoranyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoroindolin-1-yl)pyrimidine-5-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoro-2,3-dihydroindol-1-yl)-5-pyrimidinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-4-(1,3-benzodioxol-5-ylmethoxy)-2-(5-fluoro-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-2-(5-fluoroindolin-1-yl)-4-piperonyloxy-pyrimidine-5-carboxamide Formula: C29H23FN6O4 MolecularWeight: 538.529123

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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=NC7=CC=CC=C7N6

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)F)C3=NC=C(C(=N3)OCC4=CC5=C(C=C4)OCO5)C(=O)NCC6=NC7=CC=CC=C7N6

InChI

InChI=1S/C29H23FN6O4/c30-19-6-7-23-18(12-19)9-10-36(23)29-32-13-20(27(37)31-14-26-33-21-3-1-2-4-22(21)34-26)28(35-29)38-15-17-5-8-24-25(11-17)40-16-39-24/h1-8,11-13H,9-10,14-16H2,(H,31,37)(H,33,34)