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

Systemtic Name: 2-hexyl-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-hexyl-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-hexyl-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-hexyl-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-hexyl-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C25H33N5 MolecularWeight: 403.56302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCCN(CC4)C

Isomeric SMILES

CCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCCN(CC4)C

InChI

InChI=1S/C25H33N5/c1-4-5-6-7-11-20-19(2)21(18-26)24-27-22-12-8-9-13-23(22)30(24)25(20)29-15-10-14-28(3)16-17-29/h8-9,12-13H,4-7,10-11,14-17H2,1-3H3