N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-imidazol-1-ylethanoyl)piperidin-3-yl]propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-imidazol-1-ylethanoyl)piperidin-3-yl]propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-imidazol-1-ylacetyl)-3-piperidyl]propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[2-(1-imidazolyl)-1-oxoethyl]-3-piperidinyl]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-imidazol-1-ylacetyl)-3-piperidyl]propionamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCC2CCCN(C2)C(=O)CN3C=CN=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CC[C@H]2CCCN(C2)C(=O)CN3C=CN=C3)OC

InChI

InChI=1S/C21H28N4O4/c1-28-18-10-17(11-19(12-18)29-2)23-20(26)6-5-16-4-3-8-25(13-16)21(27)14-24-9-7-22-15-24/h7,9-12,15-16H,3-6,8,13-14H2,1-2H3,(H,23,26)/t16-/m1/s1