methyl (3E)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carboxylate

Systemtic Name: methyl (3E)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carboxylate Openeye Name: methyl (3E)-3-[5-[4-(1-piperidyl)-1-piperidyl]benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carboxylate CAS Name: (3E)-3-[5-[4-(1-piperidinyl)-1-piperidinyl]-2-benzimidazolylidene]-1,2-dihydroindazole-5-carboxylic acid methyl ester IUPAC Name: methyl (3E)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carboxylate Traditional Name: (3E)-3-[5-(4-piperidinopiperidino)benzimidazol-2-ylidene]indazoline-5-carboxylic acid methyl ester Formula: C26H30N6O2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NNC2=C3N=C4C=CC(=CC4=N3)N5CCC(CC5)N6CCCCC6

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)NN/C2=C/3\N=C4C=CC(=CC4=N3)N5CCC(CC5)N6CCCCC6

InChI

InChI=1S/C26H30N6O2/c1-34-26(33)17-5-7-21-20(15-17)24(30-29-21)25-27-22-8-6-19(16-23(22)28-25)32-13-9-18(10-14-32)31-11-3-2-4-12-31/h5-8,15-16,18,29-30H,2-4,9-14H2,1H3/b25-24+