3-methyl-1-[3-phenyl-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[3-phenyl-4-(phenylcarbonyl)-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidin-1-yl]butan-1-one Openeye Name: 1-[4-benzoyl-3-phenyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-benzoyl-2-[oxo(1-piperazinyl)methyl]-3-phenyl-5-thiophen-2-yl-1-pyrrolidinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-benzoyl-3-phenyl-2-(piperazine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-benzoyl-3-phenyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidino]-3-methyl-butan-1-one Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N3O3S/c1-21(2)20-25(35)34-28(24-14-9-19-38-24)27(30(36)23-12-7-4-8-13-23)26(22-10-5-3-6-11-22)29(34)31(37)33-17-15-32-16-18-33/h3-14,19,21,26-29,32H,15-18,20H2,1-2H3