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

Systemtic Name: N-ethyl-2-(4-fluorophenyl)-3-(2-methylphenyl)carbonyl-4-(3-methylthiophen-2-yl)-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide Openeye Name: N-ethyl-2-(4-fluorophenyl)-3-(2-methylbenzoyl)-4-(3-methyl-2-thienyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide CAS Name: N-ethyl-2-(4-fluorophenyl)-3-[(2-methylphenyl)-oxomethyl]-4-(3-methyl-2-thiophenyl)-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxamide IUPAC Name: N-ethyl-2-(4-fluorophenyl)-3-(2-methylbenzoyl)-4-(3-methylthiophen-2-yl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Traditional Name: N-ethyl-2-(4-fluorophenyl)-4-(3-methyl-2-thienyl)-3-o-toluoyl-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Formula: C31H35FN4O3S MolecularWeight: 562.698003

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=C(C=CS3)C)C(=O)C4=CC=CC=C4C)C5=CC=C(C=C5)F

Isomeric SMILES

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=C(C=CS3)C)C(=O)C4=CC=CC=C4C)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H35FN4O3S/c1-4-34-31(39)36-26(21-9-11-22(32)12-10-21)24(28(37)23-8-6-5-7-19(23)2)25(29-20(3)13-18-40-29)27(36)30(38)35-16-14-33-15-17-35/h5-13,18,24-27,33H,4,14-17H2,1-3H3,(H,34,39)