N-[2-(4-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-oxidanylidene-propyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[2-(4-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-oxidanylidene-propyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-(4-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-oxo-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[2-(4-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-oxopropyl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[2-(4-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-oxopropyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-(4-fluorophenyl)-3-(1H-imidazol-2-ylamino)-3-keto-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C29H22FN7O2 MolecularWeight: 519.529083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C3=NC4=C(N3)C=C(C=C4)C(=O)NCC(C5=CC=C(C=C5)F)C(=O)NC6=NC=CN6

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C3=NC4=C(N3)C=C(C=C4)C(=O)NCC(C5=CC=C(C=C5)F)C(=O)NC6=NC=CN6

InChI

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