N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-(3,3-dimethylbutanoyl)-5-phenyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-(3,3-dimethylbutanoyl)-5-phenyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-(3,3-dimethylbutanoyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-(3,3-dimethyl-1-oxobutyl)-4-[oxo(thiophen-2-yl)methyl]-5-phenyl-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-(3,3-dimethylbutanoyl)-5-phenyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: 3-(4-chlorophenyl)-1-(3,3-dimethylbutanoyl)-5-phenyl-N-piperonyl-4-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C36H35ClN2O5S MolecularWeight: 643.1915

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1C(C(C(C1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)CC(=O)N1C(C(C(C1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C36H35ClN2O5S/c1-36(2,3)19-29(40)39-32(24-8-5-4-6-9-24)31(34(41)28-10-7-17-45-28)30(23-12-14-25(37)15-13-23)33(39)35(42)38-20-22-11-16-26-27(18-22)44-21-43-26/h4-18,30-33H,19-21H2,1-3H3,(H,38,42)