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

Systemtic Name: 3-methyl-1-[2-(4-methylphenyl)-3-(4-nitrophenyl)carbonyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-5-(p-tolyl)-3-(2-thienyl)pyrrolidin-1-yl]butan-1-one CAS Name: 3-methyl-1-[2-(4-methylphenyl)-3-[(4-nitrophenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-thiophen-2-yl-1-pyrrolidinyl]-1-butanone IUPAC Name: 3-methyl-1-[2-(4-methylphenyl)-3-(4-nitrobenzoyl)-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-5-(p-tolyl)-3-(2-thienyl)pyrrolidino]butan-1-one Formula: C32H36N4O5S MolecularWeight: 588.71704

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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=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)CC(C)C)C(=O)N3CCNCC3)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H36N4O5S/c1-20(2)19-26(37)35-29(22-8-6-21(3)7-9-22)28(31(38)23-10-12-24(13-11-23)36(40)41)27(25-5-4-18-42-25)30(35)32(39)34-16-14-33-15-17-34/h4-13,18,20,27-30,33H,14-17,19H2,1-3H3