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

Systemtic Name: 1-[3-(4-methylphenyl)carbonyl-2-phenyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[3-(4-methylbenzoyl)-2-phenyl-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(4-methylphenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-5-phenyl-3-thiophen-2-yl-1-pyrrolidinyl]-2-phenoxyethanone IUPAC Name: 1-[3-(4-methylbenzoyl)-2-phenyl-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidin-1-yl]-2-phenoxyethanone Traditional Name: 2-phenoxy-1-[2-phenyl-5-(piperazine-1-carbonyl)-3-p-toluoyl-4-(2-thienyl)pyrrolidino]ethanone Formula: C35H35N3O4S MolecularWeight: 593.7351

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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)COC4=CC=CC=C4)C(=O)N5CCNCC5)C6=CC=CS6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=CC=C3)C(=O)COC4=CC=CC=C4)C(=O)N5CCNCC5)C6=CC=CS6

InChI

InChI=1S/C35H35N3O4S/c1-24-14-16-26(17-15-24)34(40)31-30(28-13-8-22-43-28)33(35(41)37-20-18-36-19-21-37)38(32(31)25-9-4-2-5-10-25)29(39)23-42-27-11-6-3-7-12-27/h2-17,22,30-33,36H,18-21,23H2,1H3