1-[3-(4-methylphenyl)carbonyl-2-phenyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[3-(4-methylphenyl)carbonyl-2-phenyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]ethanone Openeye Name: 1-[3-(4-methylbenzoyl)-2-phenyl-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 1-[4-[(4-methylphenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-5-phenyl-3-thiophen-2-yl-1-pyrrolidinyl]ethanone IUPAC Name: 1-[3-(4-methylbenzoyl)-2-phenyl-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidin-1-yl]ethanone Traditional Name: 1-[2-phenyl-5-(piperazine-1-carbonyl)-3-p-toluoyl-4-(2-thienyl)pyrrolidino]ethanone Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=CC=C3)C(=O)C)C(=O)N4CCNCC4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=CC=C3)C(=O)C)C(=O)N4CCNCC4)C5=CC=CS5

InChI

InChI=1S/C29H31N3O3S/c1-19-10-12-22(13-11-19)28(34)25-24(23-9-6-18-36-23)27(29(35)31-16-14-30-15-17-31)32(20(2)33)26(25)21-7-4-3-5-8-21/h3-13,18,24-27,30H,14-17H2,1-2H3