N-(3-chloranyl-4-fluoranyl-phenyl)-1-methyl-5-oxidanylidene-N-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]pyrrolidine-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-methyl-5-oxidanylidene-N-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]pyrrolidine-3-carboxamide Openeye Name: N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3-chloro-4-fluoro-phenyl)-1-methyl-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxo-N-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]-3-pyrrolidinecarboxamide IUPAC Name: N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-(4-benzylpiperidino)propyl]-N-(3-chloro-4-fluoro-phenyl)-5-keto-1-methyl-pyrrolidine-3-carboxamide Formula: C27H33ClFN3O2 MolecularWeight: 486.021223

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CN1CC(CC1=O)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C27H33ClFN3O2/c1-30-19-22(17-26(30)33)27(34)32(23-8-9-25(29)24(28)18-23)13-5-12-31-14-10-21(11-15-31)16-20-6-3-2-4-7-20/h2-4,6-9,18,21-22H,5,10-17,19H2,1H3