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

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-veratrylpiperazino)acetamide Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CN2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CN2CCN(CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H30N4O3/c1-21(15-22,17-5-6-17)23-20(26)14-25-10-8-24(9-11-25)13-16-4-7-18(27-2)19(12-16)28-3/h4,7,12,17H,5-6,8-11,13-14H2,1-3H3,(H,23,26)/t21-/m0/s1