ethyl 4-[5-cyano-5-(1,3-dimethylbenzimidazol-2-ylidene)-4-oxidanylidene-pentanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-cyano-5-(1,3-dimethylbenzimidazol-2-ylidene)-4-oxidanylidene-pentanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-cyano-5-(1,3-dimethylbenzimidazol-2-ylidene)-4-oxo-pentanoyl]piperazine-1-carboxylate CAS Name: 4-[5-cyano-5-(1,3-dimethyl-2-benzimidazolylidene)-1,4-dioxopentyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-cyano-5-(1,3-dimethylbenzimidazol-2-ylidene)-4-oxopentanoyl]piperazine-1-carboxylate Traditional Name: 4-[5-cyano-5-(1,3-dimethylbenzimidazol-2-ylidene)-4-keto-pentanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCC(=O)C(=C2N(C3=CC=CC=C3N2C)C)C#N

InChI

InChI=1S/C22H27N5O4/c1-4-31-22(30)27-13-11-26(12-14-27)20(29)10-9-19(28)16(15-23)21-24(2)17-7-5-6-8-18(17)25(21)3/h5-8H,4,9-14H2,1-3H3