N-[[4-(diethylaminomethyl)phenyl]methyl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[4-(diethylaminomethyl)benzyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-3-25(4-2)15-18-7-5-17(6-8-18)14-24-22(28)19-9-10-20(21(13-19)27(29)30)26-12-11-23-16-26/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,28)