1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-(3-nitrophenoxy)-3-[4-(o-tolylmethyl)piperazin-1-yl]propan-2-ol CAS Name: 1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-[4-(2-methylbenzyl)piperazino]-3-(3-nitrophenoxy)propan-2-ol Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H27N3O4/c1-17-5-2-3-6-18(17)14-22-9-11-23(12-10-22)15-20(25)16-28-21-8-4-7-19(13-21)24(26)27/h2-8,13,20,25H,9-12,14-16H2,1H3