N-[1-(2-adamantyl)pyrrolidin-3-yl]-5-cyano-2-methoxy-4-propoxy-benzamide

Systemtic Name: N-[1-(2-adamantyl)pyrrolidin-3-yl]-5-cyano-2-methoxy-4-propoxy-benzamide Openeye Name: N-[1-(2-adamantyl)pyrrolidin-3-yl]-5-cyano-2-methoxy-4-propoxy-benzamide CAS Name: N-[1-(2-adamantyl)-3-pyrrolidinyl]-5-cyano-2-methoxy-4-propoxybenzamide IUPAC Name: N-[1-(2-adamantyl)pyrrolidin-3-yl]-5-cyano-2-methoxy-4-propoxybenzamide Traditional Name: N-[1-(2-adamantyl)pyrrolidin-3-yl]-5-cyano-2-methoxy-4-propoxy-benzamide Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1C#N)C(=O)NC2CCN(C2)C3C4CC5CC(C4)CC3C5)OC

Isomeric SMILES

CCCOC1=CC(=C(C=C1C#N)C(=O)NC2CCN(C2)C3C4CC5CC(C4)CC3C5)OC

InChI

InChI=1S/C26H35N3O3/c1-3-6-32-23-13-24(31-2)22(12-20(23)14-27)26(30)28-21-4-5-29(15-21)25-18-8-16-7-17(10-18)11-19(25)9-16/h12-13,16-19,21,25H,3-11,15H2,1-2H3,(H,28,30)