N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(3-oxidanylpiperidin-1-yl)ethanamide

Systemtic Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(3-oxidanylpiperidin-1-yl)ethanamide Openeye Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]-2-(3-hydroxy-1-piperidyl)acetamide CAS Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]-2-(3-hydroxy-1-piperidinyl)acetamide IUPAC Name: N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide Traditional Name: N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]-2-(3-hydroxypiperidino)acetamide Formula: C21H25FN4O2 MolecularWeight: 384.447203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCCC(C2)O)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCCC(C2)O)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H25FN4O2/c1-14-15(2)26(11-16-5-7-17(22)8-6-16)21(19(14)10-23)24-20(28)13-25-9-3-4-18(27)12-25/h5-8,18,27H,3-4,9,11-13H2,1-2H3,(H,24,28)