1-[4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-2-(3-methylthiophen-2-yl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-(4-fluorophenyl)-3-(3-methylphenyl)carbonyl-2-(3-methylthiophen-2-yl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-(4-fluorophenyl)-3-(3-methylbenzoyl)-2-(3-methyl-2-thienyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-(4-fluorophenyl)-3-[(3-methylphenyl)-oxomethyl]-2-(3-methyl-2-thiophenyl)-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[4-(4-fluorophenyl)-3-(3-methylbenzoyl)-2-(3-methylthiophen-2-yl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-(4-fluorophenyl)-2-(3-methyl-2-thienyl)-3-m-toluoyl-5-(piperazine-1-carbonyl)pyrrolidino]-2-methoxy-ethanone Formula: C31H34FN3O4S MolecularWeight: 563.682763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)COC)C(=O)N3CCNCC3)C4=CC=C(C=C4)F)C(=O)C5=CC(=CC=C5)C

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)COC)C(=O)N3CCNCC3)C4=CC=C(C=C4)F)C(=O)C5=CC(=CC=C5)C

InChI

InChI=1S/C31H34FN3O4S/c1-19-5-4-6-22(17-19)29(37)26-25(21-7-9-23(32)10-8-21)28(31(38)34-14-12-33-13-15-34)35(24(36)18-39-3)27(26)30-20(2)11-16-40-30/h4-11,16-17,25-28,33H,12-15,18H2,1-3H3