(2Z)-5-(4-methyl-1,4-diazepan-1-yl)-2-(5-phenylmethoxy-1,2-dihydroindazol-3-ylidene)benzimidazole

Systemtic Name: (2Z)-5-(4-methyl-1,4-diazepan-1-yl)-2-(5-phenylmethoxy-1,2-dihydroindazol-3-ylidene)benzimidazole Openeye Name: (2Z)-2-(5-benzyloxy-1,2-dihydroindazol-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole CAS Name: (2Z)-5-(4-methyl-1,4-diazepan-1-yl)-2-(5-phenylmethoxy-1,2-dihydroindazol-3-ylidene)benzimidazole IUPAC Name: (2Z)-5-(4-methyl-1,4-diazepan-1-yl)-2-(5-phenylmethoxy-1,2-dihydroindazol-3-ylidene)benzimidazole Traditional Name: (2Z)-2-(5-benzoxyindazolin-3-ylidene)-5-(4-methyl-1,4-diazepan-1-yl)benzimidazole Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC3=NC(=C4C5=C(C=CC(=C5)OCC6=CC=CC=C6)NN4)N=C3C=C2

Isomeric SMILES

CN1CCCN(CC1)C2=CC3=N/C(=C\4/C5=C(C=CC(=C5)OCC6=CC=CC=C6)NN4)/N=C3C=C2

InChI

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