1-(4-cyclohexylpiperazin-1-yl)-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Openeye Name: 1-(4-cyclohexylpiperazin-1-yl)-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate CAS Name: 1-(4-cyclohexyl-1-piperazinyl)-2-ethyl-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile hydrate IUPAC Name: 1-(4-cyclohexylpiperazin-1-yl)-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Traditional Name: 1-(4-cyclohexylpiperazino)-2-ethyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Formula: C25H33N5O MolecularWeight: 419.56242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5.H2O/c1-3-20-18(2)21(17-26)24-27-22-11-7-8-12-23(22)30(24)25(20)29-15-13-28(14-16-29)19-9-5-4-6-10-19;/h7-8,11-12,19H,3-6,9-10,13-16H2,1-2H3;1H2