(2Z)-5-(4-methylpiperazin-1-yl)-2-[7-(phenylmethoxymethyl)-1,2-dihydroindazol-3-ylidene]benzimidazole

Systemtic Name: (2Z)-5-(4-methylpiperazin-1-yl)-2-[7-(phenylmethoxymethyl)-1,2-dihydroindazol-3-ylidene]benzimidazole Openeye Name: (2Z)-2-[7-(benzyloxymethyl)-1,2-dihydroindazol-3-ylidene]-5-(4-methylpiperazin-1-yl)benzimidazole CAS Name: (2Z)-5-(4-methyl-1-piperazinyl)-2-[7-(phenylmethoxymethyl)-1,2-dihydroindazol-3-ylidene]benzimidazole IUPAC Name: (2Z)-5-(4-methylpiperazin-1-yl)-2-[7-(phenylmethoxymethyl)-1,2-dihydroindazol-3-ylidene]benzimidazole Traditional Name: (2Z)-2-[7-(benzoxymethyl)indazolin-3-ylidene]-5-(4-methylpiperazino)benzimidazole Formula: C27H28N6O MolecularWeight: 452.55082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=NC(=C4C5=C(C(=CC=C5)COCC6=CC=CC=C6)NN4)N=C3C=C2

Isomeric SMILES

CN1CCN(CC1)C2=CC3=N/C(=C\4/C5=C(C(=CC=C5)COCC6=CC=CC=C6)NN4)/N=C3C=C2

InChI

InChI=1S/C27H28N6O/c1-32-12-14-33(15-13-32)21-10-11-23-24(16-21)29-27(28-23)26-22-9-5-8-20(25(22)30-31-26)18-34-17-19-6-3-2-4-7-19/h2-11,16,30-31H,12-15,17-18H2,1H3/b27-26-