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

Systemtic Name: 1-(hexadecylamino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(hexadecylamino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(hexadecylamino)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(hexadecylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(cetylamino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H42N4 MolecularWeight: 446.67058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-28-22-24(2)25(23-30)29-32-26-19-16-17-20-27(26)33(28)29/h16-17,19-20,22,31H,3-15,18,21H2,1-2H3