1-[(3-chloranyl-4-methyl-phenyl)amino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(3-chloranyl-4-methyl-phenyl)amino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(3-chloro-4-methyl-anilino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(3-chloro-4-methylanilino)-3-methyl-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(3-chloro-4-methylanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(3-chloro-4-methyl-anilino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C28H31ClN4 MolecularWeight: 459.02554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCCCCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C28H31ClN4/c1-4-5-6-7-8-9-12-22-20(3)23(18-30)28-32-25-13-10-11-14-26(25)33(28)27(22)31-21-16-15-19(2)24(29)17-21/h10-11,13-17,31H,4-9,12H2,1-3H3