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

Systemtic Name: 2-ethyl-3-methyl-1-piperidin-1-yl-pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Openeye Name: 2-ethyl-3-methyl-1-(1-piperidyl)pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate CAS Name: 2-ethyl-3-methyl-1-(1-piperidinyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile hydrate IUPAC Name: 2-ethyl-3-methyl-1-piperidin-1-ylpyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Traditional Name: 2-ethyl-3-methyl-1-piperidino-pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Formula: C20H24N4O MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCCCC4.O

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCCCC4.O

InChI

InChI=1S/C20H22N4.H2O/c1-3-15-14(2)16(13-21)19-22-17-9-5-6-10-18(17)24(19)20(15)23-11-7-4-8-12-23;/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3;1H2