(3E)-3-[5-(3-pyrrolidin-1-ylpropoxy)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carbonitrile

Systemtic Name: (3E)-3-[5-(3-pyrrolidin-1-ylpropoxy)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carbonitrile Openeye Name: (3E)-3-[5-(3-pyrrolidin-1-ylpropoxy)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carbonitrile CAS Name: (3E)-3-[5-[3-(1-pyrrolidinyl)propoxy]-2-benzimidazolylidene]-1,2-dihydroindazole-5-carbonitrile IUPAC Name: (3E)-3-[5-(3-pyrrolidin-1-ylpropoxy)benzimidazol-2-ylidene]-1,2-dihydroindazole-5-carbonitrile Traditional Name: (3E)-3-[5-(3-pyrrolidinopropoxy)benzimidazol-2-ylidene]indazoline-5-carbonitrile Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCOC2=CC3=NC(=C4C5=C(C=CC(=C5)C#N)NN4)N=C3C=C2

Isomeric SMILES

C1CCN(C1)CCCOC2=CC3=N/C(=C/4\C5=C(C=CC(=C5)C#N)NN4)/N=C3C=C2

InChI

InChI=1S/C22H22N6O/c23-14-15-4-6-18-17(12-15)21(27-26-18)22-24-19-7-5-16(13-20(19)25-22)29-11-3-10-28-8-1-2-9-28/h4-7,12-13,26-27H,1-3,8-11H2/b22-21+