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

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: 1-[4-(m-tolylmethyl)piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: 1-[4-(3-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(=CC=C1)CN2CCN(CC2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

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