N-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: 3-(4-benzhydrylpiperazino)propyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C27H29F3N4O2 MolecularWeight: 498.53997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29F3N4O2/c28-27(29,30)23-12-13-24(25(20-23)34(35)36)31-14-7-15-32-16-18-33(19-17-32)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-13,20,26,31H,7,14-19H2