1-[[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]thiazole-4-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-4-thiazolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[[2-(3,4-dimethoxyphenyl)ethyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[(4-fluorobenzyl)-homoveratryl-amino]methyl]thiazole-4-carbonyl]isonipecotamide Formula: C28H33FN4O4S MolecularWeight: 540.649423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)N4CCC(CC4)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=C(C=C2)F)CC3=NC(=CS3)C(=O)N4CCC(CC4)C(=O)N)OC

InChI

InChI=1S/C28H33FN4O4S/c1-36-24-8-5-19(15-25(24)37-2)9-12-32(16-20-3-6-22(29)7-4-20)17-26-31-23(18-38-26)28(35)33-13-10-21(11-14-33)27(30)34/h3-8,15,18,21H,9-14,16-17H2,1-2H3,(H2,30,34)