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

Systemtic Name: 3-methyl-1-(2-methylimidazol-1-yl)-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Openeye Name: 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate CAS Name: 3-methyl-1-(2-methyl-1-imidazolyl)-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile hydrate IUPAC Name: 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Traditional Name: 2-benzyl-3-methyl-1-(2-methylimidazol-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile hydrate Formula: C24H21N5O MolecularWeight: 395.45644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5C=CN=C5C)C#N.O

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)N5C=CN=C5C)C#N.O

InChI

InChI=1S/C24H19N5.H2O/c1-16-19(14-18-8-4-3-5-9-18)24(28-13-12-26-17(28)2)29-22-11-7-6-10-21(22)27-23(29)20(16)15-25;/h3-13H,14H2,1-2H3;1H2