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

Systemtic Name: N-[3-(1H-imidazol-2-ylamino)-2-(4-methoxyphenyl)-3-oxidanylidene-propyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[3-(1H-imidazol-2-ylamino)-2-(4-methoxyphenyl)-3-oxo-propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[3-(1H-imidazol-2-ylamino)-2-(4-methoxyphenyl)-3-oxopropyl]-2-(3-isoquinolinyl)-3H-benzimidazole-5-carboxamide IUPAC Name: N-[3-(1H-imidazol-2-ylamino)-2-(4-methoxyphenyl)-3-oxopropyl]-2-isoquinolin-3-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[3-(1H-imidazol-2-ylamino)-3-keto-2-(4-methoxyphenyl)propyl]-2-(3-isoquinolyl)-3H-benzimidazole-5-carboxamide Formula: C30H25N7O3 MolecularWeight: 531.5646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC5=CC=CC=C5C=N4)C(=O)NC6=NC=CN6

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC5=CC=CC=C5C=N4)C(=O)NC6=NC=CN6

InChI

InChI=1S/C30H25N7O3/c1-40-22-9-6-18(7-10-22)23(29(39)37-30-31-12-13-32-30)17-34-28(38)20-8-11-24-25(15-20)36-27(35-24)26-14-19-4-2-3-5-21(19)16-33-26/h2-16,23H,17H2,1H3,(H,34,38)(H,35,36)(H2,31,32,37,39)