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

Systemtic Name: 3-methyl-2-(3-methylbutyl)-1-(undecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-isopentyl-3-methyl-1-(undecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-(3-methylbutyl)-1-(undecylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-(3-methylbutyl)-1-(undecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-isoamyl-3-methyl-1-(undecylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C29H42N4 MolecularWeight: 446.67058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CCC(C)C

Isomeric SMILES

CCCCCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CCC(C)C

InChI

InChI=1S/C29H42N4/c1-5-6-7-8-9-10-11-12-15-20-31-28-24(19-18-22(2)3)23(4)25(21-30)29-32-26-16-13-14-17-27(26)33(28)29/h13-14,16-17,22,31H,5-12,15,18-20H2,1-4H3