[4-(4-tert-butylphenyl)-1-(3-fluorophenyl)carbonyl-2-(3-methylthiophen-2-yl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(4-tert-butylphenyl)-1-(3-fluorophenyl)carbonyl-2-(3-methylthiophen-2-yl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-thiophen-2-yl-methanone Openeye Name: [4-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-2-(3-methyl-2-thienyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-(2-thienyl)methanone CAS Name: [4-(4-tert-butylphenyl)-1-[(3-fluorophenyl)-oxomethyl]-2-(3-methyl-2-thiophenyl)-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-2-(3-methylthiophen-2-yl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-thiophen-2-ylmethanone Traditional Name: [4-(4-tert-butylphenyl)-1-(3-fluorobenzoyl)-2-(3-methyl-2-thienyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-(2-thienyl)methanone Formula: C36H38FN3O3S2 MolecularWeight: 643.833623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3=CC(=CC=C3)F)C(=O)N4CCNCC4)C5=CC=C(C=C5)C(C)(C)C)C(=O)C6=CC=CS6

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3=CC(=CC=C3)F)C(=O)N4CCNCC4)C5=CC=C(C=C5)C(C)(C)C)C(=O)C6=CC=CS6

InChI

InChI=1S/C36H38FN3O3S2/c1-22-14-20-45-33(22)30-29(32(41)27-9-6-19-44-27)28(23-10-12-25(13-11-23)36(2,3)4)31(35(43)39-17-15-38-16-18-39)40(30)34(42)24-7-5-8-26(37)21-24/h5-14,19-21,28-31,38H,15-18H2,1-4H3