ethyl 4-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-cyano-3-methyl-1-oxidanylidene-pyrido[1,2-a]benzimidazol-2-ylidene)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(4-cyano-3-methyl-1-oxo-pyrido[1,2-a]benzimidazol-2-ylidene)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-cyano-3-methyl-1-oxo-2-pyrido[1,2-a]benzimidazolylidene)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]piperazine-1-carboxylate Traditional Name: 4-[(4-cyano-1-keto-3-methyl-pyrido[1,2-a]benzimidazol-2-ylidene)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C=C2C(=C(C3=NC4=CC=CC=C4N3C2=O)C#N)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C=C2C(=C(C3=NC4=CC=CC=C4N3C2=O)C#N)C

InChI

InChI=1S/C21H21N5O3/c1-3-29-21(28)25-10-8-24(9-11-25)13-16-14(2)15(12-22)19-23-17-6-4-5-7-18(17)26(19)20(16)27/h4-7,13H,3,8-11H2,1-2H3