N-(5-chloranyl-2-methoxy-phenyl)-1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-[2-(4-fluoroanilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-[2-(4-fluoroanilino)-2-keto-ethyl]isonipecotamide Formula: C21H23ClFN3O3 MolecularWeight: 419.877023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23ClFN3O3/c1-29-19-7-2-15(22)12-18(19)25-21(28)14-8-10-26(11-9-14)13-20(27)24-17-5-3-16(23)4-6-17/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)(H,25,28)