1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-(5,5-dimethyl-4H-thiazol-2-yl)piperazin-1-yl]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[4-(5,5-dimethyl-4H-thiazol-2-yl)-1-piperazinyl]-3-methyl-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-(5,5-dimethyl-2-thiazolin-2-yl)piperazino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C30H40N6S MolecularWeight: 516.7438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=NCC(S5)(C)C

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=NCC(S5)(C)C

InChI

InChI=1S/C30H40N6S/c1-5-6-7-8-9-10-13-23-22(2)24(20-31)27-33-25-14-11-12-15-26(25)36(27)28(23)34-16-18-35(19-17-34)29-32-21-30(3,4)37-29/h11-12,14-15H,5-10,13,16-19,21H2,1-4H3