1-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone

Systemtic Name: 1-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone Openeye Name: 1-[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-2-(2-isopropyl-5-methyl-phenoxy)ethanone CAS Name: 1-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone Traditional Name: 1-[4-(2-chloro-4-nitro-phenyl)piperazino]-2-(2-isopropyl-5-methyl-phenoxy)ethanone Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H26ClN3O4/c1-15(2)18-6-4-16(3)12-21(18)30-14-22(27)25-10-8-24(9-11-25)20-7-5-17(26(28)29)13-19(20)23/h4-7,12-13,15H,8-11,14H2,1-3H3