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

Systemtic Name: 3-methyl-1-(octadecylamino)-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-(octadecylamino)-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-(octadecylamino)-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-(octadecylamino)-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-2-octyl-1-(stearylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C39H62N4 MolecularWeight: 586.93638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CCCCCCCC

InChI

InChI=1S/C39H62N4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-27-31-41-38-34(28-24-22-11-9-7-5-2)33(3)35(32-40)39-42-36-29-25-26-30-37(36)43(38)39/h25-26,29-30,41H,4-24,27-28,31H2,1-3H3