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

Systemtic Name: 4-[(3E)-3-[4-(imidazol-1-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]isoquinoline Openeye Name: 4-[(3E)-3-[4-(imidazol-1-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]isoquinoline CAS Name: 4-[(3E)-3-[4-(1-imidazolylmethyl)-2-benzimidazolylidene]-1,2-dihydroindazol-5-yl]isoquinoline IUPAC Name: 4-[(3E)-3-[4-(imidazol-1-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydroindazol-5-yl]isoquinoline Traditional Name: 4-[(3E)-3-[4-(imidazol-1-ylmethyl)benzimidazol-2-ylidene]indazolin-5-yl]isoquinoline Formula: C27H19N7 MolecularWeight: 441.48666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2C3=CC4=C(C=C3)NNC4=C5N=C6C=CC=C(C6=N5)CN7C=CN=C7

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2C3=CC\4=C(C=C3)NN/C4=C/5\N=C6C=CC=C(C6=N5)CN7C=CN=C7

InChI

InChI=1S/C27H19N7/c1-2-6-20-18(4-1)13-29-14-22(20)17-8-9-23-21(12-17)26(33-32-23)27-30-24-7-3-5-19(25(24)31-27)15-34-11-10-28-16-34/h1-14,16,32-33H,15H2/b27-26+