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

Systemtic Name: 3-methyl-2-[(2-methylphenyl)methyl]-1-[(3-nitrophenyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-(3-nitroanilino)-2-(o-tolylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-2-[(2-methylphenyl)methyl]-1-(3-nitroanilino)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-2-[(2-methylphenyl)methyl]-1-(3-nitroanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-2-(2-methylbenzyl)-1-(3-nitroanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H21N5O2 MolecularWeight: 447.48794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(N3C4=CC=CC=C4N=C3C(=C2C)C#N)NC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CC2=C(N3C4=CC=CC=C4N=C3C(=C2C)C#N)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N5O2/c1-17-8-3-4-9-19(17)14-22-18(2)23(16-28)27-30-24-12-5-6-13-25(24)31(27)26(22)29-20-10-7-11-21(15-20)32(33)34/h3-13,15,29H,14H2,1-2H3