[4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[(4-fluorobenzyl)-(2-thenyl)amino]-1-nicotinoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C27H30FN5O2S MolecularWeight: 507.622803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)F)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CC4=CC=C(C=C4)F)CC5=CC=CS5

InChI

InChI=1S/C27H30FN5O2S/c28-22-7-5-20(6-8-22)17-32(19-24-4-2-14-36-24)23-15-25(27(35)31-12-10-29-11-13-31)33(18-23)26(34)21-3-1-9-30-16-21/h1-9,14,16,23,25,29H,10-13,15,17-19H2