3-methyl-1-[3-(4-methylphenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-pyrrolidin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[3-(4-methylphenyl)-4-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-pyrrolidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[3-[4-(o-tolyl)piperazine-1-carbonyl]-4-(p-tolyl)pyrrolidin-1-yl]butan-1-one CAS Name: 3-methyl-1-[3-(4-methylphenyl)-4-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-pyrrolidinyl]-1-butanone IUPAC Name: 3-methyl-1-[3-(4-methylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[3-[4-(o-tolyl)piperazine-1-carbonyl]-4-(p-tolyl)pyrrolidino]butan-1-one Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CN(CC2C(=O)N3CCN(CC3)C4=CC=CC=C4C)C(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2CN(CC2C(=O)N3CCN(CC3)C4=CC=CC=C4C)C(=O)CC(C)C

InChI

InChI=1S/C28H37N3O2/c1-20(2)17-27(32)31-18-24(23-11-9-21(3)10-12-23)25(19-31)28(33)30-15-13-29(14-16-30)26-8-6-5-7-22(26)4/h5-12,20,24-25H,13-19H2,1-4H3