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

Systemtic Name: N-[2-(2-diethylaminoethyl)-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide Openeye Name: N-[2-(2-diethylaminoethyl)-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide CAS Name: N-[2-(2-diethylaminoethyl)-1-methyl-5-benzimidazolyl]-4-nitrobenzamide IUPAC Name: N-[2-(2-diethylaminoethyl)-1-methylbenzimidazol-5-yl]-4-nitrobenzamide Traditional Name: N-[2-(2-diethylaminoethyl)-1-methyl-benzimidazol-5-yl]-4-nitro-benzamide Formula: C21H25N5O3 MolecularWeight: 395.4549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCC1=NC2=C(N1C)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c1-4-25(5-2)13-12-20-23-18-14-16(8-11-19(18)24(20)3)22-21(27)15-6-9-17(10-7-15)26(28)29/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,27)