4-[2-[(4-bromophenyl)amino]-1-methyl-benzimidazol-5-yl]oxy-N-(2-oxidanylideneazepan-3-yl)pyridine-2-carboxamide

Systemtic Name: 4-[2-[(4-bromophenyl)amino]-1-methyl-benzimidazol-5-yl]oxy-N-(2-oxidanylideneazepan-3-yl)pyridine-2-carboxamide Openeye Name: 4-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxy-N-(2-oxoazepan-3-yl)pyridine-2-carboxamide CAS Name: 4-[[2-(4-bromoanilino)-1-methyl-5-benzimidazolyl]oxy]-N-(2-oxo-3-azepanyl)-2-pyridinecarboxamide IUPAC Name: 4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-oxoazepan-3-yl)pyridine-2-carboxamide Traditional Name: 4-[2-(4-bromoanilino)-1-methyl-benzimidazol-5-yl]oxy-N-(2-ketoazepan-3-yl)picolinamide Formula: C26H25BrN6O3 MolecularWeight: 549.4191

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC4CCCCNC4=O)N=C1NC5=CC=C(C=C5)Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC4CCCCNC4=O)N=C1NC5=CC=C(C=C5)Br

InChI

InChI=1S/C26H25BrN6O3/c1-33-23-10-9-18(14-21(23)32-26(33)30-17-7-5-16(27)6-8-17)36-19-11-13-28-22(15-19)25(35)31-20-4-2-3-12-29-24(20)34/h5-11,13-15,20H,2-4,12H2,1H3,(H,29,34)(H,30,32)(H,31,35)