N-[(2S)-2-azanylpropyl]-4-[2-[(4-bromophenyl)amino]-1-methyl-benzimidazol-5-yl]oxy-pyridine-2-carboxamide

Systemtic Name: N-[(2S)-2-azanylpropyl]-4-[2-[(4-bromophenyl)amino]-1-methyl-benzimidazol-5-yl]oxy-pyridine-2-carboxamide Openeye Name: N-[(2S)-2-aminopropyl]-4-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxy-pyridine-2-carboxamide CAS Name: N-[(2S)-2-aminopropyl]-4-[[2-(4-bromoanilino)-1-methyl-5-benzimidazolyl]oxy]-2-pyridinecarboxamide IUPAC Name: N-[(2S)-2-aminopropyl]-4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide Traditional Name: N-[(2S)-2-aminopropyl]-4-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxy-picolinamide Formula: C23H23BrN6O2 MolecularWeight: 495.37172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N(C(=N3)NC4=CC=C(C=C4)Br)C)N

Isomeric SMILES

C[C@@H](CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N(C(=N3)NC4=CC=C(C=C4)Br)C)N

InChI

InChI=1S/C23H23BrN6O2/c1-14(25)13-27-22(31)20-12-18(9-10-26-20)32-17-7-8-21-19(11-17)29-23(30(21)2)28-16-5-3-15(24)4-6-16/h3-12,14H,13,25H2,1-2H3,(H,27,31)(H,28,29)/t14-/m0/s1