4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-N-phenyl-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidine-1-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-N-phenyl-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidine-1-carboxamide Openeye Name: 4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-N-phenyl-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidine-1-carboxamide CAS Name: 4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-5-[oxo(1-piperazinyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-N-phenyl-1-pyrrolidinecarboxamide IUPAC Name: 4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-N-phenyl-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidine-1-carboxamide Traditional Name: 4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-N-phenyl-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidine-1-carboxamide Formula: C37H39FN4O3S MolecularWeight: 638.793963

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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)NC4=CC=CC=C4)C5=CC=C(C=C5)F)C(=O)C6=CC=CS6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)F)C(=O)C6=CC=CS6

InChI

InChI=1S/C37H39FN4O3S/c1-37(2,3)26-15-11-24(12-16-26)30-31(34(43)29-10-7-23-46-29)32(25-13-17-27(38)18-14-25)42(36(45)40-28-8-5-4-6-9-28)33(30)35(44)41-21-19-39-20-22-41/h4-18,23,30-33,39H,19-22H2,1-3H3,(H,40,45)