3,3-dimethyl-1-[2-(3-methylphenyl)-4-phenyl-3-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[2-(3-methylphenyl)-4-phenyl-3-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]butan-1-one Openeye Name: 1-[3-benzoyl-2-(m-tolyl)-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[3-benzoyl-2-(3-methylphenyl)-5-[oxo(1-piperazinyl)methyl]-4-phenyl-1-pyrrolidinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[3-benzoyl-2-(3-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[3-benzoyl-2-(m-tolyl)-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidino]-3,3-dimethyl-butan-1-one Formula: C35H41N3O3 MolecularWeight: 551.71834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H41N3O3/c1-24-12-11-17-27(22-24)31-30(33(40)26-15-9-6-10-16-26)29(25-13-7-5-8-14-25)32(34(41)37-20-18-36-19-21-37)38(31)28(39)23-35(2,3)4/h5-17,22,29-32,36H,18-21,23H2,1-4H3