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

Systemtic Name: 3-methyl-1-[2-(4-methylphenyl)-4-(4-nitrophenyl)-3-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]butan-1-one Openeye Name: 1-[4-benzoyl-3-(4-nitrophenyl)-2-(piperazine-1-carbonyl)-5-(p-tolyl)pyrrolidin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[3-benzoyl-2-(4-methylphenyl)-4-(4-nitrophenyl)-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinyl]-3-methyl-1-butanone IUPAC Name: 1-[3-benzoyl-2-(4-methylphenyl)-4-(4-nitrophenyl)-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-benzoyl-3-(4-nitrophenyl)-2-(piperazine-1-carbonyl)-5-(p-tolyl)pyrrolidino]-3-methyl-butan-1-one Formula: C34H38N4O5 MolecularWeight: 582.68932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)CC(C)C)C(=O)N3CCNCC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)CC(C)C)C(=O)N3CCNCC3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H38N4O5/c1-22(2)21-28(39)37-31(25-11-9-23(3)10-12-25)30(33(40)26-7-5-4-6-8-26)29(24-13-15-27(16-14-24)38(42)43)32(37)34(41)36-19-17-35-18-20-36/h4-16,22,29-32,35H,17-21H2,1-3H3