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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(octylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(octylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(octylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(octylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-(4-chlorobenzyl)-3-methyl-1-(octylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H31ClN4 MolecularWeight: 459.02554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCNC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H31ClN4/c1-3-4-5-6-7-10-17-31-27-23(18-21-13-15-22(29)16-14-21)20(2)24(19-30)28-32-25-11-8-9-12-26(25)33(27)28/h8-9,11-16,31H,3-7,10,17-18H2,1-2H3