4-[(3E)-3-[4-(pyrrolidin-1-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]isoquinoline

Systemtic Name: 4-[(3E)-3-[4-(pyrrolidin-1-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]isoquinoline Openeye Name: 4-[(3E)-3-[4-(pyrrolidin-1-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]isoquinoline CAS Name: 4-[(3E)-3-[4-(1-pyrrolidinylmethyl)-2-benzimidazolylidene]-1,2-dihydroindazol-5-yl]isoquinoline IUPAC Name: 4-[(3E)-3-[4-(pyrrolidin-1-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]isoquinoline Traditional Name: 4-[(3E)-3-[4-(pyrrolidinomethyl)benzimidazol-2-ylidene]indazolin-5-yl]isoquinoline Formula: C28H24N6 MolecularWeight: 444.53036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC3=NC(=C4C5=C(C=CC(=C5)C6=CN=CC7=CC=CC=C76)NN4)N=C32

Isomeric SMILES

C1CCN(C1)CC2=CC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CC7=CC=CC=C76)NN4)/N=C32

InChI

InChI=1S/C28H24N6/c1-2-8-21-19(6-1)15-29-16-23(21)18-10-11-24-22(14-18)27(33-32-24)28-30-25-9-5-7-20(26(25)31-28)17-34-12-3-4-13-34/h1-2,5-11,14-16,32-33H,3-4,12-13,17H2/b28-27+