2-(isoquinolin-3-ylamino)-N-(4-methoxyphenyl)-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-(isoquinolin-3-ylamino)-N-(4-methoxyphenyl)-1H-benzimidazole-4-carboxamide Openeye Name: 2-(3-isoquinolylamino)-N-(4-methoxyphenyl)-1H-benzimidazole-4-carboxamide CAS Name: 2-(3-isoquinolinylamino)-N-(4-methoxyphenyl)-1H-benzimidazole-4-carboxamide IUPAC Name: 2-(isoquinolin-3-ylamino)-N-(4-methoxyphenyl)-1H-benzimidazole-4-carboxamide Traditional Name: 2-(3-isoquinolylamino)-N-(4-methoxyphenyl)-1H-benzimidazole-4-carboxamide Formula: C24H19N5O2 MolecularWeight: 409.43996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)NC(=N3)NC4=CC5=CC=CC=C5C=N4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)NC(=N3)NC4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C24H19N5O2/c1-31-18-11-9-17(10-12-18)26-23(30)19-7-4-8-20-22(19)29-24(27-20)28-21-13-15-5-2-3-6-16(15)14-25-21/h2-14H,1H3,(H,26,30)(H2,25,27,28,29)