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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=NC(=C4C5=C(C=CC=C5NN4)COCC6=CC=CC=C6)N=C3C=C2

Isomeric SMILES

CN1CCN(CC1)C2=CC3=N/C(=C\4/C5=C(C=CC=C5NN4)COCC6=CC=CC=C6)/N=C3C=C2

InChI

InChI=1S/C27H28N6O/c1-32-12-14-33(15-13-32)21-10-11-22-24(16-21)29-27(28-22)26-25-20(8-5-9-23(25)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-