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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC=CC2=C1C(=C3N=C4C=CC(=CC4=N3)N5CCC(CC5)N6CCCCC6)NN2

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC=CC2=C1/C(=C\3/N=C4C=CC(=CC4=N3)N5CCC(CC5)N6CCCCC6)/NN2

InChI

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