methyl 3,3-bis[6-(piperidin-3-ylamino)-1H-benzimidazol-2-yl]-1,2-dihydroindazole-5-carboxylate

Systemtic Name: methyl 3,3-bis[6-(piperidin-3-ylamino)-1H-benzimidazol-2-yl]-1,2-dihydroindazole-5-carboxylate Openeye Name: methyl 3,3-bis[6-(3-piperidylamino)-1H-benzimidazol-2-yl]-1,2-dihydroindazole-5-carboxylate CAS Name: 3,3-bis[6-(3-piperidinylamino)-1H-benzimidazol-2-yl]-1,2-dihydroindazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3,3-bis[6-(piperidin-3-ylamino)-1H-benzimidazol-2-yl]-1,2-dihydroindazole-5-carboxylate Traditional Name: 3,3-bis[6-(3-piperidylamino)-1H-benzimidazol-2-yl]indazoline-5-carboxylic acid methyl ester Formula: C33H38N10O2 MolecularWeight: 606.72062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NNC2(C3=NC4=C(N3)C=C(C=C4)NC5CCCNC5)C6=NC7=C(N6)C=C(C=C7)NC8CCCNC8

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NNC2(C3=NC4=C(N3)C=C(C=C4)NC5CCCNC5)C6=NC7=C(N6)C=C(C=C7)NC8CCCNC8

InChI

InChI=1S/C33H38N10O2/c1-45-30(44)19-6-9-25-24(14-19)33(43-42-25,31-38-26-10-7-20(15-28(26)40-31)36-22-4-2-12-34-17-22)32-39-27-11-8-21(16-29(27)41-32)37-23-5-3-13-35-18-23/h6-11,14-16,22-23,34-37,42-43H,2-5,12-13,17-18H2,1H3,(H,38,40)(H,39,41)