4-imidazol-1-yl-3-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)benzamide

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)benzamide Openeye Name: 4-imidazol-1-yl-3-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 4-imidazol-1-yl-3-nitro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 4-imidazol-1-yl-3-nitro-N-(2-phenyl-2-pyrrolidino-ethyl)benzamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

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