1-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone

Systemtic Name: 1-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone Openeye Name: 1-[4-(2-chloro-6-nitro-phenyl)piperazin-1-yl]-2-(2-isopropyl-5-methyl-phenoxy)ethanone CAS Name: 1-[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone Traditional Name: 1-[4-(2-chloro-6-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=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

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