N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-3-pyrrolidin-1-ylcarbonyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide CAS Name: N-[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-(2-fluorobenzoyl)piperazino]-3-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C27H27FN4O3S MolecularWeight: 506.591683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)N4CCN(CC4)C(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)N4CCN(CC4)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C27H27FN4O3S/c28-22-7-2-1-6-20(22)26(34)32-15-13-30(14-16-32)23-10-9-19(29-25(33)24-8-5-17-36-24)18-21(23)27(35)31-11-3-4-12-31/h1-2,5-10,17-18H,3-4,11-16H2,(H,29,33)