4-nitro-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenol

Systemtic Name: 4-nitro-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenol Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-4-nitro-phenol CAS Name: 4-nitro-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenol IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-4-nitrophenol Traditional Name: 2-[(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)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

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