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

Systemtic Name: 4-imidazol-1-yl-3-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide Openeye Name: 4-imidazol-1-yl-3-nitro-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-(1-imidazolyl)-3-nitro-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-imidazol-1-yl-3-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide Traditional Name: 4-imidazol-1-yl-3-nitro-N-[2-pyrrolidino-2-(2-thienyl)ethyl]benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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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=CS4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H21N5O3S/c26-20(22-13-18(19-4-3-11-29-19)23-8-1-2-9-23)15-5-6-16(17(12-15)25(27)28)24-10-7-21-14-24/h3-7,10-12,14,18H,1-2,8-9,13H2,(H,22,26)