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

Systemtic Name: 2-ethyl-3-methyl-1-[(3-methylphenyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Openeye Name: 2-ethyl-3-methyl-1-(3-methylanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate CAS Name: 2-ethyl-3-methyl-1-(3-methylanilino)-4-pyrido[1,2-a]benzimidazolecarbonitrile hydrate IUPAC Name: 2-ethyl-3-methyl-1-(3-methylanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Traditional Name: 2-ethyl-3-methyl-1-(m-toluidino)pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=CC(=C4)C.O

Isomeric SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=CC(=C4)C.O

InChI

InChI=1S/C22H20N4.H2O/c1-4-17-15(3)18(13-23)22-25-19-10-5-6-11-20(19)26(22)21(17)24-16-9-7-8-14(2)12-16;/h5-12,24H,4H2,1-3H3;1H2