1-tert-butyl-3-[(3E)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]urea

Systemtic Name: 1-tert-butyl-3-[(3E)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]urea Openeye Name: 1-tert-butyl-3-[(3E)-3-[5-[4-(1-piperidyl)-1-piperidyl]benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]urea CAS Name: 1-tert-butyl-3-[(3E)-3-[5-[4-(1-piperidinyl)-1-piperidinyl]-2-benzimidazolylidene]-1,2-dihydroindazol-5-yl]urea IUPAC Name: 1-tert-butyl-3-[(3E)-3-[5-(4-piperidin-1-ylpiperidin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]urea Traditional Name: 1-tert-butyl-3-[(3E)-3-[5-(4-piperidinopiperidino)benzimidazol-2-ylidene]indazolin-5-yl]urea Formula: C29H38N8O MolecularWeight: 514.66502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC2=C(C=C1)NNC2=C3N=C4C=CC(=CC4=N3)N5CCC(CC5)N6CCCCC6

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC\2=C(C=C1)NN/C2=C/3\N=C4C=CC(=CC4=N3)N5CCC(CC5)N6CCCCC6

InChI

InChI=1S/C29H38N8O/c1-29(2,3)33-28(38)30-19-7-9-23-22(17-19)26(35-34-23)27-31-24-10-8-21(18-25(24)32-27)37-15-11-20(12-16-37)36-13-5-4-6-14-36/h7-10,17-18,20,34-35H,4-6,11-16H2,1-3H3,(H2,30,33,38)/b27-26+