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

Systemtic Name: ethyl 3-[4-cyano-1-(4-cyclohexylpiperazin-1-yl)-3-methyl-pyrido[1,2-a]benzimidazol-2-yl]propanoate Openeye Name: ethyl 3-[4-cyano-1-(4-cyclohexylpiperazin-1-yl)-3-methyl-pyrido[1,2-a]benzimidazol-2-yl]propanoate CAS Name: 3-[4-cyano-1-(4-cyclohexyl-1-piperazinyl)-3-methyl-2-pyrido[1,2-a]benzimidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-1-(4-cyclohexylpiperazin-1-yl)-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate Traditional Name: 3-[4-cyano-1-(4-cyclohexylpiperazino)-3-methyl-pyrido[1,2-a]benzimidazol-2-yl]propionic acid ethyl ester Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

CCOC(=O)CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C28H35N5O2/c1-3-35-26(34)14-13-22-20(2)23(19-29)27-30-24-11-7-8-12-25(24)33(27)28(22)32-17-15-31(16-18-32)21-9-5-4-6-10-21/h7-8,11-12,21H,3-6,9-10,13-18H2,1-2H3