4-imidazol-1-yl-3-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-imidazol-1-yl-3-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-imidazol-1-yl-3-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-imidazol-1-yl-3-nitro-N-[2-(pyrrolidinomethyl)benzyl]benzamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c28-22(17-7-8-20(21(13-17)27(29)30)26-12-9-23-16-26)24-14-18-5-1-2-6-19(18)15-25-10-3-4-11-25/h1-2,5-9,12-13,16H,3-4,10-11,14-15H2,(H,24,28)