N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-bromanyl-5-methoxy-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-bromanyl-5-methoxy-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-bromo-5-methoxy-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-bromo-5-methoxybenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-bromo-5-methoxybenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-bromo-5-methoxy-benzamide Formula: C23H20BrN3O2 MolecularWeight: 450.3278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H20BrN3O2/c1-29-16-11-12-18(24)17(14-16)23(28)27-21(13-15-7-3-2-4-8-15)22-25-19-9-5-6-10-20(19)26-22/h2-12,14,21H,13H2,1H3,(H,25,26)(H,27,28)/t21-/m0/s1