1-[(2-methoxy-5-nitro-phenyl)amino]-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)amino]-3-methyl-2-(phenylmethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-benzyl-1-(2-methoxy-5-nitro-anilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(2-methoxy-5-nitroanilino)-3-methyl-2-(phenylmethyl)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-benzyl-1-(2-methoxy-5-nitroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-benzyl-1-(2-methoxy-5-nitro-anilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C27H21N5O3 MolecularWeight: 463.48734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21N5O3/c1-17-20(14-18-8-4-3-5-9-18)26(30-23-15-19(32(33)34)12-13-25(23)35-2)31-24-11-7-6-10-22(24)29-27(31)21(17)16-28/h3-13,15,30H,14H2,1-2H3