1-[2-[[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-cyano-1-(4-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]isonipecotamide Formula: C21H24FN5O2 MolecularWeight: 397.445963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)N)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)N)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H24FN5O2/c1-13-14(2)27(17-5-3-16(22)4-6-17)21(18(13)11-23)25-19(28)12-26-9-7-15(8-10-26)20(24)29/h3-6,15H,7-10,12H2,1-2H3,(H2,24,29)(H,25,28)