[2-[(4-chlorophenyl)methyl]-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]piperazin-1-yl]-[3-nitro-5-(trifluoromethyl)phenyl]methanone trihydrochloride

Systemtic Name: [2-[(4-chlorophenyl)methyl]-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]piperazin-1-yl]-[3-nitro-5-(trifluoromethyl)phenyl]methanone trihydrochloride Openeye Name: [2-[(4-chlorophenyl)methyl]-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]piperazin-1-yl]-[3-nitro-5-(trifluoromethyl)phenyl]methanone trihydrochloride CAS Name: [2-[(4-chlorophenyl)methyl]-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-1-piperazinyl]-[3-nitro-5-(trifluoromethyl)phenyl]methanone trihydrochloride IUPAC Name: [2-[(4-chlorophenyl)methyl]-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]piperazin-1-yl]-[3-nitro-5-(trifluoromethyl)phenyl]methanone trihydrochloride Traditional Name: [2-(4-chlorobenzyl)-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]piperazino]-[3-nitro-5-(trifluoromethyl)phenyl]methanone trihydrochloride Formula: C29H32Cl4F3N5O3 MolecularWeight: 697.40329

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1N=CC=C2)CCN3CCN(C(C3)CC4=CC=C(C=C4)Cl)C(=O)C5=CC(=CC(=C5)[N+](=O)[O-])C(F)(F)F.Cl.Cl.Cl

Isomeric SMILES

C1CN(CC2=C1N=CC=C2)CCN3CCN(C(C3)CC4=CC=C(C=C4)Cl)C(=O)C5=CC(=CC(=C5)[N+](=O)[O-])C(F)(F)F.Cl.Cl.Cl

InChI

InChI=1S/C29H29ClF3N5O3.3ClH/c30-24-5-3-20(4-6-24)14-26-19-36(11-10-35-9-7-27-21(18-35)2-1-8-34-27)12-13-37(26)28(39)22-15-23(29(31,32)33)17-25(16-22)38(40)41;;;/h1-6,8,15-17,26H,7,9-14,18-19H2;3*1H