N-phenethyl-N-(5-piperazin-1-ylcarbonyl-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl)thiophene-2-carboxamide

Systemtic Name: N-phenethyl-N-(5-piperazin-1-ylcarbonyl-1-pyridin-3-ylcarbonyl-pyrrolidin-3-yl)thiophene-2-carboxamide Openeye Name: N-phenethyl-N-[5-(piperazine-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide CAS Name: N-[5-[oxo(1-piperazinyl)methyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinyl]-N-phenethyl-2-thiophenecarboxamide IUPAC Name: N-phenethyl-N-[5-(piperazine-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide Traditional Name: N-[1-nicotinoyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-phenethyl-thiophene-2-carboxamide Formula: C28H31N5O3S MolecularWeight: 517.64244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H31N5O3S/c34-26(22-8-4-11-30-19-22)33-20-23(18-24(33)27(35)31-15-12-29-13-16-31)32(28(36)25-9-5-17-37-25)14-10-21-6-2-1-3-7-21/h1-9,11,17,19,23-24,29H,10,12-16,18,20H2