1-ethyl-3-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-6-yl]urea

Systemtic Name: 1-ethyl-3-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-6-yl]urea Openeye Name: 1-ethyl-3-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-6-yl]urea CAS Name: 1-ethyl-3-[(3E)-3-[5-(4-methyl-1-piperazinyl)-2-benzimidazolylidene]-1,2-dihydroindazol-6-yl]urea IUPAC Name: 1-ethyl-3-[(3E)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-1,2-dihydroindazol-6-yl]urea Traditional Name: 1-ethyl-3-[(3E)-3-[5-(4-methylpiperazino)benzimidazol-2-ylidene]indazolin-6-yl]urea Formula: C22H26N8O MolecularWeight: 418.49484

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC2=C(C=C1)C(=C3N=C4C=CC(=CC4=N3)N5CCN(CC5)C)NN2

Isomeric SMILES

CCNC(=O)NC1=CC2=C(C=C1)/C(=C\3/N=C4C=CC(=CC4=N3)N5CCN(CC5)C)/NN2

InChI

InChI=1S/C22H26N8O/c1-3-23-22(31)24-14-4-6-16-18(12-14)27-28-20(16)21-25-17-7-5-15(13-19(17)26-21)30-10-8-29(2)9-11-30/h4-7,12-13,27-28H,3,8-11H2,1-2H3,(H2,23,24,31)/b21-20+