N-[4-[3-(benzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]isoquinolin-8-yl]ethanamide

Systemtic Name: N-[4-[3-(benzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]isoquinolin-8-yl]ethanamide Openeye Name: N-[4-[3-(benzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]-8-isoquinolyl]acetamide CAS Name: N-[4-[3-(2-benzimidazolylidene)-1,2-dihydroindazol-5-yl]-8-isoquinolinyl]acetamide IUPAC Name: N-[4-[3-(benzimidazol-2-ylidene)-1,2-dihydroindazol-5-yl]isoquinolin-8-yl]acetamide Traditional Name: N-[4-[3-(benzimidazol-2-ylidene)indazolin-5-yl]-8-isoquinolyl]acetamide Formula: C25H18N6O MolecularWeight: 418.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C(C=NC=C21)C3=CC4=C(C=C3)NNC4=C5N=C6C=CC=CC6=N5

Isomeric SMILES

CC(=O)NC1=CC=CC2=C(C=NC=C21)C3=CC4=C(C=C3)NNC4=C5N=C6C=CC=CC6=N5

InChI

InChI=1S/C25H18N6O/c1-14(32)27-20-8-4-5-16-18(12-26-13-19(16)20)15-9-10-21-17(11-15)24(31-30-21)25-28-22-6-2-3-7-23(22)29-25/h2-13,30-31H,1H3,(H,27,32)