1-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-[oxo(1-piperazinyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidino]-2-methoxy-ethanone Formula: C33H38FN3O4S MolecularWeight: 591.735923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)COC)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)COC)C4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H38FN3O4S/c1-33(2,3)23-11-7-21(8-12-23)27-28(31(39)25-6-5-19-42-25)29(22-9-13-24(34)14-10-22)37(26(38)20-41-4)30(27)32(40)36-17-15-35-16-18-36/h5-14,19,27-30,35H,15-18,20H2,1-4H3