[2-[(4-chlorophenyl)methyl]-4-(3-pyridin-3-ylpropyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone

Systemtic Name: [2-[(4-chlorophenyl)methyl]-4-(3-pyridin-3-ylpropyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone Openeye Name: [2-[(4-chlorophenyl)methyl]-4-[3-(3-pyridyl)propyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone CAS Name: [2-[(4-chlorophenyl)methyl]-4-[3-(3-pyridinyl)propyl]-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone IUPAC Name: [2-[(4-chlorophenyl)methyl]-4-(3-pyridin-3-ylpropyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone Traditional Name: [2-(4-chlorobenzyl)-4-[3-(3-pyridyl)propyl]piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone Formula: C28H29ClF3N3O2 MolecularWeight: 531.99697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CC=C(C=C3)Cl)CCCC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1)C(F)(F)F)C(=O)N2CCN(CC2CC3=CC=C(C=C3)Cl)CCCC4=CN=CC=C4

InChI

InChI=1S/C28H29ClF3N3O2/c1-37-26-16-22(15-23(17-26)28(30,31)32)27(36)35-13-12-34(11-3-5-21-4-2-10-33-18-21)19-25(35)14-20-6-8-24(29)9-7-20/h2,4,6-10,15-18,25H,3,5,11-14,19H2,1H3