ethyl 4-[2-[2-cyanoethyl-(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-cyanoethyl-(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(2-cyanoethyl)-3,4-dimethyl-anilino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[N-(2-cyanoethyl)-3,4-dimethylanilino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[N-(2-cyanoethyl)-3,4-dimethylanilino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[N-(2-cyanoethyl)-3,4-dimethyl-anilino]-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)N(CCC#N)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)N(CCC#N)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H28N4O3/c1-4-27-20(26)23-12-10-22(11-13-23)15-19(25)24(9-5-8-21)18-7-6-16(2)17(3)14-18/h6-7,14H,4-5,9-13,15H2,1-3H3