1-[2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: 1-[2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-[1-(3-fluoro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-[2-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]isonipecotamide Formula: C21H26FN3O2 MolecularWeight: 371.448443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CN3CCC(CC3)C(=O)N)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CN3CCC(CC3)C(=O)N)C)F

InChI

InChI=1S/C21H26FN3O2/c1-13-4-5-17(11-19(13)22)25-14(2)10-18(15(25)3)20(26)12-24-8-6-16(7-9-24)21(23)27/h4-5,10-11,16H,6-9,12H2,1-3H3,(H2,23,27)