N-[2-(azepan-1-ylmethyl)-1-propan-2-yl-benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[2-(azepan-1-ylmethyl)-1-propan-2-yl-benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[2-(azepan-1-ylmethyl)-1-isopropyl-benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[2-(1-azepanylmethyl)-1-propan-2-yl-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[2-(azepan-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[2-(azepan-1-ylmethyl)-1-isopropyl-benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCCCCC4

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4CCCCCC4

InChI

InChI=1S/C25H31N5O4/c1-18(2)29-23-12-7-19(15-22(23)27-24(29)16-28-13-5-3-4-6-14-28)26-25(31)17-34-21-10-8-20(9-11-21)30(32)33/h7-12,15,18H,3-6,13-14,16-17H2,1-2H3,(H,26,31)