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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46N4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-30-26(5-2)25(3)27(24-32)31-34-28-21-18-19-22-29(28)35(30)31/h18-19,21-22,33H,4-17,20,23H2,1-3H3