4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-2-nitro-phenol

Systemtic Name: 4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-2-nitro-phenol Openeye Name: 4-[[4-[2-[(2-methyl-5-quinolyl)oxy]ethyl]piperazin-1-yl]methyl]-2-nitro-phenol CAS Name: 4-[[4-[2-[(2-methyl-5-quinolinyl)oxy]ethyl]-1-piperazinyl]methyl]-2-nitrophenol IUPAC Name: 4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-2-nitrophenol Traditional Name: 4-[[4-[2-[(2-methyl-5-quinolyl)oxy]ethyl]piperazino]methyl]-2-nitro-phenol Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)OCCN3CCN(CC3)CC4=CC(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)OCCN3CCN(CC3)CC4=CC(=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4/c1-17-5-7-19-20(24-17)3-2-4-23(19)31-14-13-25-9-11-26(12-10-25)16-18-6-8-22(28)21(15-18)27(29)30/h2-8,15,28H,9-14,16H2,1H3