N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C22H22ClN5O3 MolecularWeight: 439.89478

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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=C4Cl

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C22H22ClN5O3/c23-18-6-2-1-5-17(18)21(26-10-3-4-11-26)14-25-22(29)16-7-8-19(20(13-16)28(30)31)27-12-9-24-15-27/h1-2,5-9,12-13,15,21H,3-4,10-11,14H2,(H,25,29)