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

Systemtic Name: 3-methyl-2-octyl-1-[4-(phenylmethyl)piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-octyl-1-[4-(phenylmethyl)-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(4-benzylpiperazino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C32H39N5 MolecularWeight: 493.68556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C32H39N5/c1-3-4-5-6-7-11-16-27-25(2)28(23-33)31-34-29-17-12-13-18-30(29)37(31)32(27)36-21-19-35(20-22-36)24-26-14-9-8-10-15-26/h8-10,12-15,17-18H,3-7,11,16,19-22,24H2,1-2H3