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

Systemtic Name: 1-(hexadecylamino)-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-benzyl-1-(hexadecylamino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(hexadecylamino)-3-methyl-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-benzyl-1-(hexadecylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-benzyl-1-(cetylamino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C36H48N4 MolecularWeight: 536.79312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC4=CC=CC=C4

InChI

InChI=1S/C36H48N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-26-38-35-31(27-30-22-17-16-18-23-30)29(2)32(28-37)36-39-33-24-19-20-25-34(33)40(35)36/h16-20,22-25,38H,3-15,21,26-27H2,1-2H3