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

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-(4-nitrophenoxy)-3-[4-(p-tolylmethyl)piperazin-1-yl]propan-2-ol CAS Name: 1-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-[4-(4-methylbenzyl)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)CN2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

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