2-isoquinolin-3-yl-N-[(2S)-4-methyl-3-oxidanylidene-1-phenyl-pentan-2-yl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-isoquinolin-3-yl-N-[(2S)-4-methyl-3-oxidanylidene-1-phenyl-pentan-2-yl]-1H-benzimidazole-4-carboxamide Openeye Name: N-[(1S)-1-benzyl-3-methyl-2-oxo-butyl]-2-(3-isoquinolyl)-1H-benzimidazole-4-carboxamide CAS Name: 2-(3-isoquinolinyl)-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-isoquinolin-3-yl-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]-1H-benzimidazole-4-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-3-methyl-butyl]-2-(3-isoquinolyl)-1H-benzimidazole-4-carboxamide Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CC(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C29H26N4O2/c1-18(2)27(34)24(15-19-9-4-3-5-10-19)32-29(35)22-13-8-14-23-26(22)33-28(31-23)25-16-20-11-6-7-12-21(20)17-30-25/h3-14,16-18,24H,15H2,1-2H3,(H,31,33)(H,32,35)/t24-/m0/s1