ethyl 4-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate Traditional Name: 4-[(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H](C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H22N4O3/c1-3-24-17(23)21-9-7-20(8-10-21)13(2)16(22)19-15-6-4-5-14(11-15)12-18/h4-6,11,13H,3,7-10H2,1-2H3,(H,19,22)/t13-/m1/s1