ethyl 4-[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl]piperazine-1-carboxylate CAS Name: 4-[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl]piperazine-1-carboxylate Traditional Name: 4-[(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C)C(=O)C(=C2NC3=CC=CC=C3N2)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H](C)C(=O)C(=C2NC3=CC=CC=C3N2)C#N

InChI

InChI=1S/C19H23N5O3/c1-3-27-19(26)24-10-8-23(9-11-24)13(2)17(25)14(12-20)18-21-15-6-4-5-7-16(15)22-18/h4-7,13,21-22H,3,8-11H2,1-2H3/t13-/m1/s1