N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[2-[(4-ethyl-1-piperazinyl)methyl]-1-methyl-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[2-[(4-ethylpiperazino)methyl]-1-methyl-benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O4/c1-3-27-10-12-28(13-11-27)15-22-25-20-14-17(4-9-21(20)26(22)2)24-23(30)16-33-19-7-5-18(6-8-19)29(31)32/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,24,30)