[4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone

Systemtic Name: [4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone Openeye Name: [4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone CAS Name: [4-[4-(3,3-dimethyl-4-morpholinyl)but-2-ynyl]-2-[(4-fluorophenyl)methyl]-1-piperazinyl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone IUPAC Name: [4-[4-(3,3-dimethylmorpholin-4-yl)but-2-ynyl]-2-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone Traditional Name: [4-[4-(3,3-dimethylmorpholino)but-2-ynyl]-2-(4-fluorobenzyl)piperazino]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone Formula: C30H35F4N3O3 MolecularWeight: 561.610813

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COCCN1CC#CCN2CCN(C(C2)CC3=CC=C(C=C3)F)C(=O)C4=CC(=CC(=C4)OC)C(F)(F)F)C

Isomeric SMILES

CC1(COCCN1CC#CCN2CCN(C(C2)CC3=CC=C(C=C3)F)C(=O)C4=CC(=CC(=C4)OC)C(F)(F)F)C

InChI

InChI=1S/C30H35F4N3O3/c1-29(2)21-40-15-14-36(29)11-5-4-10-35-12-13-37(26(20-35)16-22-6-8-25(31)9-7-22)28(38)23-17-24(30(32,33)34)19-27(18-23)39-3/h6-9,17-19,26H,10-16,20-21H2,1-3H3