ethyl 4-[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3/c1-3-26-19(25)22-14-12-21(13-15-22)16(2)18(24)23(11-7-10-20)17-8-5-4-6-9-17/h4-6,8-9,16H,3,7,11-15H2,1-2H3