2-(1,3-benzodioxol-5-yl)-N-ethyl-4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-ethyl-4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-ethyl-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-ethyl-4-(4-fluorophenyl)-3-[(3-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-ethyl-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-ethyl-4-(4-fluorophenyl)-3-m-toluoyl-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Formula: C33H35FN4O5 MolecularWeight: 586.653203

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)C)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)C)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C33H35FN4O5/c1-3-36-33(41)38-29(22-9-12-25-26(18-22)43-19-42-25)28(31(39)23-6-4-5-20(2)17-23)27(21-7-10-24(34)11-8-21)30(38)32(40)37-15-13-35-14-16-37/h4-12,17-18,27-30,35H,3,13-16,19H2,1-2H3,(H,36,41)