1-[4-(3-chlorophenyl)carbonyl-2-piperazin-1-ylcarbonyl-5-pyridin-3-yl-3-thiophen-2-yl-pyrrolidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)carbonyl-2-piperazin-1-ylcarbonyl-5-pyridin-3-yl-3-thiophen-2-yl-pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-(3-chlorobenzoyl)-2-(piperazine-1-carbonyl)-5-(3-pyridyl)-3-(2-thienyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-[(3-chlorophenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-5-(3-pyridinyl)-3-thiophen-2-yl-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[4-(3-chlorobenzoyl)-2-(piperazine-1-carbonyl)-5-pyridin-3-yl-3-thiophen-2-ylpyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-(3-chlorobenzoyl)-2-(piperazine-1-carbonyl)-5-(3-pyridyl)-3-(2-thienyl)pyrrolidino]-2-methoxy-ethanone Formula: C28H29ClN4O4S MolecularWeight: 553.07226

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

COCC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C28H29ClN4O4S/c1-37-17-22(34)33-25(19-6-3-9-31-16-19)24(27(35)18-5-2-7-20(29)15-18)23(21-8-4-14-38-21)26(33)28(36)32-12-10-30-11-13-32/h2-9,14-16,23-26,30H,10-13,17H2,1H3