1-[(2-cyano-4-nitro-phenyl)amino]-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(2-cyano-4-nitro-phenyl)amino]-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-benzyl-1-(2-cyano-4-nitro-anilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(2-cyano-4-nitroanilino)-3-methyl-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-benzyl-1-(2-cyano-4-nitroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-benzyl-1-(2-cyano-4-nitro-anilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H18N6O2 MolecularWeight: 458.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)NC5=C(C=C(C=C5)[N+](=O)[O-])C#N)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=CC=C4)NC5=C(C=C(C=C5)[N+](=O)[O-])C#N)C#N

InChI

InChI=1S/C27H18N6O2/c1-17-21(13-18-7-3-2-4-8-18)26(30-23-12-11-20(33(34)35)14-19(23)15-28)32-25-10-6-5-9-24(25)31-27(32)22(17)16-29/h2-12,14,30H,13H2,1H3