2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]-2-morpholin-4-yl-2-phenyl-ethanenitrile

Systemtic Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]-2-morpholin-4-yl-2-phenyl-ethanenitrile Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)-2-morpholino-2-phenyl-acetonitrile CAS Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]-2-(4-morpholinyl)-2-phenylacetonitrile IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)-2-morpholin-4-yl-2-phenylacetonitrile Traditional Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)-2-morpholino-2-phenyl-acetonitrile Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)C(C#N)(C3=CC=CC=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)C(C#N)(C3=CC=CC=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O3/c1-18-25-22(28(29)30)21(27(18)16-19-8-4-2-5-9-19)23(17-24,20-10-6-3-7-11-20)26-12-14-31-15-13-26/h2-11H,12-16H2,1H3