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

Systemtic Name: ethyl 4-(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazine-1-carboxylate CAS Name: 4-(4-cyano-2-ethyl-3-methyl-1-pyrido[1,2-a]benzimidazolyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyano-2-ethyl-3-methylpyrido[1,2-a]benzimidazol-1-yl)piperazine-1-carboxylate Traditional Name: 4-(4-cyano-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)piperazine-1-carboxylic acid ethyl ester Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C22H25N5O2/c1-4-16-15(3)17(14-23)20-24-18-8-6-7-9-19(18)27(20)21(16)25-10-12-26(13-11-25)22(28)29-5-2/h6-9H,4-5,10-13H2,1-3H3