3-methyl-2-octyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 3-methyl-2-octyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-2-octyl-1-[4-(2-pyridyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-octyl-1-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-octyl-1-(4-pyridin-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-2-octyl-1-[4-(2-pyridyl)piperazino]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C30H36N6 MolecularWeight: 480.64704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C30H36N6/c1-3-4-5-6-7-8-13-24-23(2)25(22-31)29-33-26-14-9-10-15-27(26)36(29)30(24)35-20-18-34(19-21-35)28-16-11-12-17-32-28/h9-12,14-17H,3-8,13,18-21H2,1-2H3