N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-nitro-benzamide

Systemtic Name: N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-nitro-benzamide Openeye Name: N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-nitro-benzamide CAS Name: N-[2-(1-azepanylmethyl)-1-butyl-5-benzimidazolyl]-2-nitrobenzamide IUPAC Name: N-[2-(azepan-1-ylmethyl)-1-butylbenzimidazol-5-yl]-2-nitrobenzamide Traditional Name: N-[2-(azepan-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-nitro-benzamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])N=C1CN4CCCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])N=C1CN4CCCCCC4

InChI

InChI=1S/C25H31N5O3/c1-2-3-16-29-23-13-12-19(26-25(31)20-10-6-7-11-22(20)30(32)33)17-21(23)27-24(29)18-28-14-8-4-5-9-15-28/h6-7,10-13,17H,2-5,8-9,14-16,18H2,1H3,(H,26,31)