2-[2-(4-chloranylphenoxy)ethanoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethanoyl-(2-pyrrolidin-1-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[[2-(4-chlorophenoxy)acetyl]-(2-pyrrolidin-1-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[[2-(4-chlorophenoxy)-1-oxoethyl]-[2-(1-pyrrolidinyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[[2-(4-chlorophenoxy)acetyl]-(2-pyrrolidin-1-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[[2-(4-chlorophenoxy)acetyl]-(2-pyrrolidinoethyl)amino]-N-(4-fluorobenzyl)-N-(2-thenyl)acetamide Formula: C28H31ClFN3O3S MolecularWeight: 544.080443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CCN(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H31ClFN3O3S/c29-23-7-11-25(12-8-23)36-21-28(35)32(16-15-31-13-1-2-14-31)20-27(34)33(19-26-4-3-17-37-26)18-22-5-9-24(30)10-6-22/h3-12,17H,1-2,13-16,18-21H2