methyl 4-[4-(5-bromanyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[4-(5-bromanyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(5-bromo-2-keto-3H-benzimidazol-1-yl)piperidino]piperidine-1-carboxylic acid methyl ester Formula: C19H25BrN4O3 MolecularWeight: 437.3308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=C(C=C(C=C4)Br)NC3=O

Isomeric SMILES

COC(=O)N1CCC(CC1)N2CCC(CC2)N3C4=C(C=C(C=C4)Br)NC3=O

InChI

InChI=1S/C19H25BrN4O3/c1-27-19(26)23-10-4-14(5-11-23)22-8-6-15(7-9-22)24-17-3-2-13(20)12-16(17)21-18(24)25/h2-3,12,14-15H,4-11H2,1H3,(H,21,25)