3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-isovalerylpiperazino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H25N5O MolecularWeight: 375.4668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C(=O)CC(C)C)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN(CC4)C(=O)CC(C)C)C#N

InChI

InChI=1S/C22H25N5O/c1-15(2)12-21(28)26-10-8-25(9-11-26)20-13-16(3)17(14-23)22-24-18-6-4-5-7-19(18)27(20)22/h4-7,13,15H,8-12H2,1-3H3