[5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]phenyl]methanamine

Systemtic Name: [5-nitro-2-[4-(phenylmethyl)piperazin-1-yl]phenyl]methanamine Openeye Name: [2-(4-benzylpiperazin-1-yl)-5-nitro-phenyl]methanamine CAS Name: [5-nitro-2-[4-(phenylmethyl)-1-piperazinyl]phenyl]methanamine IUPAC Name: [2-(4-benzylpiperazin-1-yl)-5-nitrophenyl]methanamine Traditional Name: [2-(4-benzylpiperazino)-5-nitro-benzyl]amine Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2/c19-13-16-12-17(22(23)24)6-7-18(16)21-10-8-20(9-11-21)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14,19H2