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

Systemtic Name: 2-(2-chloroethyl)-1-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-(2-chloroethyl)-1-(5-methoxy-2-methyl-4-nitro-anilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-(2-chloroethyl)-1-(5-methoxy-2-methyl-4-nitroanilino)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-(2-chloroethyl)-1-(5-methoxy-2-methyl-4-nitroanilino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-(2-chloroethyl)-1-(5-methoxy-2-methyl-4-nitro-anilino)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H20ClN5O3 MolecularWeight: 449.8896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CCCl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC2=C(C(=C(C3=NC4=CC=CC=C4N23)C#N)C)CCCl)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN5O3/c1-13-10-20(29(30)31)21(32-3)11-18(13)27-22-15(8-9-24)14(2)16(12-25)23-26-17-6-4-5-7-19(17)28(22)23/h4-7,10-11,27H,8-9H2,1-3H3