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

Systemtic Name: N-[1-ethyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[1-ethyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[1-ethyl-2-(1-pyrrolidinylmethyl)-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[1-ethyl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[1-ethyl-2-(pyrrolidinomethyl)benzimidazol-5-yl]-4-nitro-benzamide Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCCC4

InChI

InChI=1S/C21H23N5O3/c1-2-25-19-10-7-16(13-18(19)23-20(25)14-24-11-3-4-12-24)22-21(27)15-5-8-17(9-6-15)26(28)29/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,27)