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

Systemtic Name: 2-(isoquinolin-3-ylamino)-N-(phenylmethyl)-1H-benzimidazole-4-carboxamide Openeye Name: N-benzyl-2-(3-isoquinolylamino)-1H-benzimidazole-4-carboxamide CAS Name: 2-(3-isoquinolinylamino)-N-(phenylmethyl)-1H-benzimidazole-4-carboxamide IUPAC Name: N-benzyl-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide Traditional Name: N-benzyl-2-(3-isoquinolylamino)-1H-benzimidazole-4-carboxamide Formula: C24H19N5O MolecularWeight: 393.44056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N5O/c30-23(26-14-16-7-2-1-3-8-16)19-11-6-12-20-22(19)29-24(27-20)28-21-13-17-9-4-5-10-18(17)15-25-21/h1-13,15H,14H2,(H,26,30)(H2,25,27,28,29)