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

Systemtic Name: 3-methyl-2-octyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-octyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-octyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C34H41N5 MolecularWeight: 519.72284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H41N5/c1-3-4-5-6-7-11-18-29-27(2)30(26-35)33-36-31-19-12-13-20-32(31)39(33)34(29)38-24-22-37(23-25-38)21-14-17-28-15-9-8-10-16-28/h8-10,12-17,19-20H,3-7,11,18,21-25H2,1-2H3/b17-14+