1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-[4-(2,5-dimethylphenyl)piperazino]-3-(4-nitrophenoxy)propan-2-ol Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H27N3O4/c1-16-3-4-17(2)21(13-16)23-11-9-22(10-12-23)14-19(25)15-28-20-7-5-18(6-8-20)24(26)27/h3-8,13,19,25H,9-12,14-15H2,1-2H3