(3Z)-3-[5-(3-imidazol-1-ylpropylamino)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carbonitrile

Systemtic Name: (3Z)-3-[5-(3-imidazol-1-ylpropylamino)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carbonitrile Openeye Name: (3Z)-3-[5-(3-imidazol-1-ylpropylamino)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carbonitrile CAS Name: (3Z)-3-[5-[3-(1-imidazolyl)propylamino]-2-benzimidazolylidene]-1,2-dihydroindazole-5-carbonitrile IUPAC Name: (3Z)-3-[5-(3-imidazol-1-ylpropylamino)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carbonitrile Traditional Name: (3Z)-3-[5-(3-imidazol-1-ylpropylamino)benzimidazol-2-ylidene]indazoline-5-carbonitrile Formula: C21H18N8 MolecularWeight: 382.42122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)C(=C3N=C4C=CC(=CC4=N3)NCCCN5C=CN=C5)NN2

Isomeric SMILES

C1=CC2=C(C=C1C#N)/C(=C/3\N=C4C=CC(=CC4=N3)NCCCN5C=CN=C5)/NN2

InChI

InChI=1S/C21H18N8/c22-12-14-2-4-17-16(10-14)20(28-27-17)21-25-18-5-3-15(11-19(18)26-21)24-6-1-8-29-9-7-23-13-29/h2-5,7,9-11,13,24,27-28H,1,6,8H2/b21-20-