N-[(3R)-1-[bis(6-propan-2-yloxypyridin-3-yl)methyl]pyrrolidin-3-yl]-4-cyano-2-fluoranyl-benzamide

Systemtic Name: N-[(3R)-1-[bis(6-propan-2-yloxypyridin-3-yl)methyl]pyrrolidin-3-yl]-4-cyano-2-fluoranyl-benzamide Openeye Name: N-[(3R)-1-[bis(6-isopropoxy-3-pyridyl)methyl]pyrrolidin-3-yl]-4-cyano-2-fluoro-benzamide CAS Name: N-[(3R)-1-[bis(6-propan-2-yloxy-3-pyridinyl)methyl]-3-pyrrolidinyl]-4-cyano-2-fluorobenzamide IUPAC Name: N-[(3R)-1-[bis(6-propan-2-yloxypyridin-3-yl)methyl]pyrrolidin-3-yl]-4-cyano-2-fluorobenzamide Traditional Name: N-[(3R)-1-[bis(6-isopropoxy-3-pyridyl)methyl]pyrrolidin-3-yl]-4-cyano-2-fluoro-benzamide Formula: C29H32FN5O3 MolecularWeight: 517.594483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC=C(C=C1)C(C2=CN=C(C=C2)OC(C)C)N3CCC(C3)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

CC(C)OC1=NC=C(C=C1)C(C2=CN=C(C=C2)OC(C)C)N3CC[C@H](C3)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C29H32FN5O3/c1-18(2)37-26-9-6-21(15-32-26)28(22-7-10-27(33-16-22)38-19(3)4)35-12-11-23(17-35)34-29(36)24-8-5-20(14-31)13-25(24)30/h5-10,13,15-16,18-19,23,28H,11-12,17H2,1-4H3,(H,34,36)/t23-/m1/s1