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

Systemtic Name: [4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-1-morpholin-4-ylcarbonyl-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-thiophen-2-yl-methanone Openeye Name: [4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-1-(morpholine-4-carbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-(2-thienyl)methanone CAS Name: [4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-1-[4-morpholinyl(oxo)methyl]-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-1-(morpholine-4-carbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-thiophen-2-ylmethanone Traditional Name: [4-(4-tert-butylphenyl)-2-(4-fluorophenyl)-1-(morpholine-4-carbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-(2-thienyl)methanone Formula: C35H41FN4O4S MolecularWeight: 632.787843

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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)N4CCOCC4)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)N4CCOCC4)C5=CC=C(C=C5)F)C(=O)C6=CC=CS6

InChI

InChI=1S/C35H41FN4O4S/c1-35(2,3)25-10-6-23(7-11-25)28-29(32(41)27-5-4-22-45-27)30(24-8-12-26(36)13-9-24)40(34(43)39-18-20-44-21-19-39)31(28)33(42)38-16-14-37-15-17-38/h4-13,22,28-31,37H,14-21H2,1-3H3