1-(5-chloranyl-2-methoxy-phenyl)carbonyl-N-(3-cyanothiophen-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)carbonyl-N-(3-cyanothiophen-2-yl)piperidine-4-carboxamide Openeye Name: 1-(5-chloro-2-methoxy-benzoyl)-N-(3-cyano-2-thienyl)piperidine-4-carboxamide CAS Name: 1-[(5-chloro-2-methoxyphenyl)-oxomethyl]-N-(3-cyano-2-thiophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-chloro-2-methoxybenzoyl)-N-(3-cyanothiophen-2-yl)piperidine-4-carboxamide Traditional Name: 1-(5-chloro-2-methoxy-benzoyl)-N-(3-cyano-2-thienyl)isonipecotamide Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC(CC2)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC(CC2)C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H18ClN3O3S/c1-26-16-3-2-14(20)10-15(16)19(25)23-7-4-12(5-8-23)17(24)22-18-13(11-21)6-9-27-18/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,22,24)