N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-5-bromo-nicotinamide Formula: C21H17BrN4O MolecularWeight: 421.28988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C21H17BrN4O/c22-16-11-15(12-23-13-16)21(27)26-19(10-14-6-2-1-3-7-14)20-24-17-8-4-5-9-18(17)25-20/h1-9,11-13,19H,10H2,(H,24,25)(H,26,27)/t19-/m0/s1