[2-[(4-chlorophenyl)methyl]-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]piperazin-1-yl]-[3-pyrrol-1-yl-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-pyrrol-1-yl-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-pyrrol-1-yl-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-(1-pyrrolyl)-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-pyrrol-1-yl-5-(trifluoromethyl)phenyl]methanone trihydrochloride Traditional Name: [2-(4-chlorobenzyl)-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]piperazino]-[3-pyrrol-1-yl-5-(trifluoromethyl)phenyl]methanone trihydrochloride Formula: C33H36Cl4F3N5O MolecularWeight: 717.47905

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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)N6C=CC=C6)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)N6C=CC=C6)C(F)(F)F.Cl.Cl.Cl

InChI

InChI=1S/C33H33ClF3N5O.3ClH/c34-28-7-5-24(6-8-28)18-30-23-40(15-14-39-13-9-31-25(22-39)4-3-10-38-31)16-17-42(30)32(43)26-19-27(33(35,36)37)21-29(20-26)41-11-1-2-12-41;;;/h1-8,10-12,19-21,30H,9,13-18,22-23H2;3*1H