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4-nitro-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenol

4-nitro-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenol

Systemtic Name:4-nitro-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenol
Openeye Name:3-[(4-benzylpiperazin-1-yl)methyl]-4-nitro-phenol
CAS Name:4-nitro-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenol
IUPAC Name:3-[(4-benzylpiperazin-1-yl)methyl]-4-nitrophenol
Traditional Name:3-[(4-benzylpiperazino)methyl]-4-nitro-phenol
Formula: C18H21N3O3
MolecularWeight: 327.37764
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C=CC(=C3)O)[N+](=O)[O-]


Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=C(C=CC(=C3)O)[N+](=O)[O-]


InChI

InChI=1S/C18H21N3O3/c22-17-6-7-18(21(23)24)16(12-17)14-20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2


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