[4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-1-thiophen-2-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[(4-fluorophenyl)methyl-(2-morpholinoethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(4-fluorophenyl)methyl-[2-(4-morpholinyl)ethyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(4-fluorobenzyl)-(2-morpholinoethyl)amino]-1-(2-thenoyl)pyrrolidin-2-yl]-piperazino-methanone Formula: C27H36FN5O3S MolecularWeight: 529.669843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCN4CCOCC4)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CCN4CCOCC4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C27H36FN5O3S/c28-22-5-3-21(4-6-22)19-32(12-11-30-13-15-36-16-14-30)23-18-24(26(34)31-9-7-29-8-10-31)33(20-23)27(35)25-2-1-17-37-25/h1-6,17,23-24,29H,7-16,18-20H2