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

Systemtic Name: 1-(hexadecylamino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(hexadecylamino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(hexadecylamino)-3-methyl-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(hexadecylamino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(cetylamino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C37H58N4 MolecularWeight: 558.88322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CCCCCCCC

InChI

InChI=1S/C37H58N4/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-25-29-39-36-32(26-22-20-11-9-7-5-2)31(3)33(30-38)37-40-34-27-23-24-28-35(34)41(36)37/h23-24,27-28,39H,4-22,25-26,29H2,1-3H3