ethyl 4-(5-chloranyl-2-oxidanylidene-3-prop-2-ynyl-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(5-chloranyl-2-oxidanylidene-3-prop-2-ynyl-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-(5-chloro-2-oxo-3-prop-2-ynyl-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(5-chloro-2-oxo-3-prop-2-ynyl-1-benzimidazolyl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-2-oxo-3-prop-2-ynylbenzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(5-chloro-2-keto-3-propargyl-benzimidazol-1-yl)piperidine-1-carboxylic acid ethyl ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)Cl)N(C2=O)CC#C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C3=C(C=C(C=C3)Cl)N(C2=O)CC#C

InChI

InChI=1S/C18H20ClN3O3/c1-3-9-21-16-12-13(19)5-6-15(16)22(17(21)23)14-7-10-20(11-8-14)18(24)25-4-2/h1,5-6,12,14H,4,7-11H2,2H3