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

Systemtic Name: 4-[(3E)-3-[4-(2-pyrrolidin-1-ylethyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]isoquinoline Openeye Name: 4-[(3E)-3-[4-(2-pyrrolidin-1-ylethyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]isoquinoline CAS Name: 4-[(3E)-3-[4-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolylidene]-1,2-dihydroindazol-5-yl]isoquinoline IUPAC Name: 4-[(3E)-3-[4-(2-pyrrolidin-1-ylethyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]isoquinoline Traditional Name: 4-[(3E)-3-[4-(2-pyrrolidinoethyl)benzimidazol-2-ylidene]indazolin-5-yl]isoquinoline Formula: C29H26N6 MolecularWeight: 458.55694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2=CC=CC3=NC(=C4C5=C(C=CC(=C5)C6=CN=CC7=CC=CC=C76)NN4)N=C32

Isomeric SMILES

C1CCN(C1)CCC2=CC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CC7=CC=CC=C76)NN4)/N=C32

InChI

InChI=1S/C29H26N6/c1-2-8-22-21(6-1)17-30-18-24(22)20-10-11-25-23(16-20)28(34-33-25)29-31-26-9-5-7-19(27(26)32-29)12-15-35-13-3-4-14-35/h1-2,5-11,16-18,33-34H,3-4,12-15H2/b29-28+