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

Systemtic Name: 1-(hexadecylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(hexadecylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(hexadecylamino)-3-propyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(hexadecylamino)-3-propylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(cetylamino)-3-propyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C31H46N4 MolecularWeight: 474.72374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-23-33-30-24-26(20-4-2)27(25-32)31-34-28-21-17-18-22-29(28)35(30)31/h17-18,21-22,24,33H,3-16,19-20,23H2,1-2H3