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

Systemtic Name: N-[(3R)-1-[bis(6-propan-2-yloxypyridin-3-yl)methyl]pyrrolidin-3-yl]-4-cyano-benzamide Openeye Name: N-[(3R)-1-[bis(6-isopropoxy-3-pyridyl)methyl]pyrrolidin-3-yl]-4-cyano-benzamide CAS Name: N-[(3R)-1-[bis(6-propan-2-yloxy-3-pyridinyl)methyl]-3-pyrrolidinyl]-4-cyanobenzamide IUPAC Name: N-[(3R)-1-[bis(6-propan-2-yloxypyridin-3-yl)methyl]pyrrolidin-3-yl]-4-cyanobenzamide Traditional Name: N-[(3R)-1-[bis(6-isopropoxy-3-pyridyl)methyl]pyrrolidin-3-yl]-4-cyano-benzamide Formula: C29H33N5O3 MolecularWeight: 499.60402

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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=CC=C(C=C4)C#N

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=CC=C(C=C4)C#N

InChI

InChI=1S/C29H33N5O3/c1-19(2)36-26-11-9-23(16-31-26)28(24-10-12-27(32-17-24)37-20(3)4)34-14-13-25(18-34)33-29(35)22-7-5-21(15-30)6-8-22/h5-12,16-17,19-20,25,28H,13-14,18H2,1-4H3,(H,33,35)/t25-/m1/s1