4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(6-ethoxypyridin-3-yl)methyl]pyrrolidin-3-yl]-2-fluoranyl-benzamide

Systemtic Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(6-ethoxypyridin-3-yl)methyl]pyrrolidin-3-yl]-2-fluoranyl-benzamide Openeye Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(6-ethoxy-3-pyridyl)methyl]pyrrolidin-3-yl]-2-fluoro-benzamide CAS Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(6-ethoxy-3-pyridinyl)methyl]-3-pyrrolidinyl]-2-fluorobenzamide IUPAC Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(6-ethoxypyridin-3-yl)methyl]pyrrolidin-3-yl]-2-fluorobenzamide Traditional Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(6-ethoxy-3-pyridyl)methyl]pyrrolidin-3-yl]-2-fluoro-benzamide Formula: C27H24FN5O2 MolecularWeight: 469.510163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1)C(C2=CC=C(C=C2)C#N)N3CCC(C3)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CCOC1=NC=C(C=C1)C(C2=CC=C(C=C2)C#N)N3CC[C@H](C3)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C27H24FN5O2/c1-2-35-25-10-8-21(16-31-25)26(20-6-3-18(14-29)4-7-20)33-12-11-22(17-33)32-27(34)23-9-5-19(15-30)13-24(23)28/h3-10,13,16,22,26H,2,11-12,17H2,1H3,(H,32,34)/t22-,26?/m1/s1