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

Systemtic Name: N-ethyl-4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-2-(3-methylthiophen-2-yl)-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide Openeye Name: N-ethyl-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-2-(3-methyl-2-thienyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide CAS Name: N-ethyl-4-(4-fluorophenyl)-3-[(3-methylphenyl)-oxomethyl]-2-(3-methyl-2-thiophenyl)-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxamide IUPAC Name: N-ethyl-4-(4-fluorophenyl)-3-(3-methylbenzoyl)-2-(3-methylthiophen-2-yl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Traditional Name: N-ethyl-4-(4-fluorophenyl)-2-(3-methyl-2-thienyl)-3-m-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=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)C)C5=C(C=CS5)C

Isomeric SMILES

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)C)C5=C(C=CS5)C

InChI

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