N-[1-(2-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-oxidanylidene-propyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-(2-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-oxidanylidene-propyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[1-(2-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-oxo-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-(2-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-oxopropyl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-(2-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-oxopropyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[1-(2-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-keto-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C29H22FN7O2 MolecularWeight: 519.529083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C3=NC4=C(N3)C=C(C=C4)C(=O)NC(CC(=O)NC5=NC=CN5)C6=CC=CC=C6F

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C3=NC4=C(N3)C=C(C=C4)C(=O)NC(CC(=O)NC5=NC=CN5)C6=CC=CC=C6F

InChI

InChI=1S/C29H22FN7O2/c30-21-8-4-3-7-20(21)23(15-26(38)37-29-31-11-12-32-29)36-28(39)18-9-10-22-24(14-18)35-27(34-22)25-13-17-5-1-2-6-19(17)16-33-25/h1-14,16,23H,15H2,(H,34,35)(H,36,39)(H2,31,32,37,38)