N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-4-nitro-benzamide

Systemtic Name: N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[1-methyl-2-(1-pyrrolidinylmethyl)-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[1-methyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[1-methyl-2-(pyrrolidinomethyl)benzimidazol-5-yl]-4-nitro-benzamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCCC4

InChI

InChI=1S/C20H21N5O3/c1-23-18-9-6-15(12-17(18)22-19(23)13-24-10-2-3-11-24)21-20(26)14-4-7-16(8-5-14)25(27)28/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,26)