N-[[(2Z)-2-(5-isoquinolin-4-yl-1,2-dihydroindazol-3-ylidene)benzimidazol-4-yl]methyl]ethanamine

Systemtic Name: N-[[(2Z)-2-(5-isoquinolin-4-yl-1,2-dihydroindazol-3-ylidene)benzimidazol-4-yl]methyl]ethanamine Openeye Name: N-[[(2Z)-2-[5-(4-isoquinolyl)-1,2-dihydroindazol-3-ylidene]benzimidazol-4-yl]methyl]ethanamine CAS Name: N-[[(2Z)-2-[5-(4-isoquinolinyl)-1,2-dihydroindazol-3-ylidene]-4-benzimidazolyl]methyl]ethanamine IUPAC Name: N-[[(2Z)-2-(5-isoquinolin-4-yl-1,2-dihydroindazol-3-ylidene)benzimidazol-4-yl]methyl]ethanamine Traditional Name: ethyl-[[(2Z)-2-[5-(4-isoquinolyl)indazolin-3-ylidene]benzimidazol-4-yl]methyl]amine Formula: C26H22N6 MolecularWeight: 418.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=CC=CC2=NC(=C3C4=C(C=CC(=C4)C5=CN=CC6=CC=CC=C65)NN3)N=C21

Isomeric SMILES

CCNCC1=CC=CC2=N/C(=C/3\C4=C(C=CC(=C4)C5=CN=CC6=CC=CC=C65)NN3)/N=C21

InChI

InChI=1S/C26H22N6/c1-2-27-14-18-7-5-9-23-24(18)30-26(29-23)25-20-12-16(10-11-22(20)31-32-25)21-15-28-13-17-6-3-4-8-19(17)21/h3-13,15,27,31-32H,2,14H2,1H3/b26-25-