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

Systemtic Name: 1-[(3-chlorophenyl)amino]-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(3-chloroanilino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(3-chloroanilino)-3-methyl-2-octyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(3-chloroanilino)-3-methyl-2-octylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(3-chloroanilino)-3-methyl-2-octyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H29ClN4 MolecularWeight: 444.99896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4/c1-3-4-5-6-7-8-14-22-19(2)23(18-29)27-31-24-15-9-10-16-25(24)32(27)26(22)30-21-13-11-12-20(28)17-21/h9-13,15-17,30H,3-8,14H2,1-2H3