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

Systemtic Name: 3-methyl-1-[[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC(C4=CC=C(C=C4)[N+](=O)[O-])O)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NC[C@@H](C4=CC=C(C=C4)[N+](=O)[O-])O)C#N

InChI

InChI=1S/C21H17N5O3/c1-13-10-20(23-12-19(27)14-6-8-15(9-7-14)26(28)29)25-18-5-3-2-4-17(18)24-21(25)16(13)11-22/h2-10,19,23,27H,12H2,1H3/t19-/m0/s1