ethyl 2-[4-[cyano-(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[cyano-(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[cyano-(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetate CAS Name: 2-[4-[cyano-(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[cyano-(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[cyano-(3,4-dimethoxyphenyl)methyl]piperazino]acetic acid ethyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-4-25-18(22)13-20-7-9-21(10-8-20)15(12-19)14-5-6-16(23-2)17(11-14)24-3/h5-6,11,15H,4,7-10,13H2,1-3H3