N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(4-veratrylpiperazino)acetamide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CN1CCN(CC1)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC1)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H32N4O3/c1-16(2)21(3,15-22)23-20(26)14-25-10-8-24(9-11-25)13-17-6-7-18(27-4)19(12-17)28-5/h6-7,12,16H,8-11,13-14H2,1-5H3,(H,23,26)/t21-/m0/s1