1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol hydrochloride

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol hydrochloride CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-(4-nitrophenoxy)-2-propanol hydrochloride IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-(4-nitrophenoxy)propan-2-ol hydrochloride Formula: C20H25Cl2N3O4 MolecularWeight: 442.3362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O4.ClH/c1-15-2-3-16(21)12-20(15)23-10-8-22(9-11-23)13-18(25)14-28-19-6-4-17(5-7-19)24(26)27;/h2-7,12,18,25H,8-11,13-14H2,1H3;1H