(2E)-2-(1,2-dihydroindazol-3-ylidene)-N-(oxan-4-ylmethyl)benzimidazole-5-carboxamide

Systemtic Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-N-(oxan-4-ylmethyl)benzimidazole-5-carboxamide Openeye Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-N-(tetrahydropyran-4-ylmethyl)benzimidazole-5-carboxamide CAS Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-N-(4-oxanylmethyl)-5-benzimidazolecarboxamide IUPAC Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-N-(oxan-4-ylmethyl)benzimidazole-5-carboxamide Traditional Name: (2E)-2-indazolin-3-ylidene-N-(tetrahydropyran-4-ylmethyl)benzimidazole-5-carboxamide Formula: C21H21N5O2 MolecularWeight: 375.42374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)C2=CC3=NC(=C4C5=CC=CC=C5NN4)N=C3C=C2

Isomeric SMILES

C1COCCC1CNC(=O)C2=CC3=N/C(=C/4\C5=CC=CC=C5NN4)/N=C3C=C2

InChI

InChI=1S/C21H21N5O2/c27-21(22-12-13-7-9-28-10-8-13)14-5-6-17-18(11-14)24-20(23-17)19-15-3-1-2-4-16(15)25-26-19/h1-6,11,13,25-26H,7-10,12H2,(H,22,27)/b20-19+