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

Systemtic Name: 2-(2-chloroethyl)-3-methyl-1-[(3-nitrophenyl)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-(2-chloroethyl)-3-methyl-1-(3-nitroanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-(2-chloroethyl)-3-methyl-1-(3-nitroanilino)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-(2-chloroethyl)-3-methyl-1-(3-nitroanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-(2-chloroethyl)-3-methyl-1-(3-nitroanilino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H16ClN5O2 MolecularWeight: 405.83704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)NC4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)NC4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H16ClN5O2/c1-13-16(9-10-22)20(24-14-5-4-6-15(11-14)27(28)29)26-19-8-3-2-7-18(19)25-21(26)17(13)12-23/h2-8,11,24H,9-10H2,1H3