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

Systemtic Name: 3-methyl-1-[3-(4-methylphenyl)carbonyl-2-phenyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[3-(4-methylbenzoyl)-2-phenyl-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[(4-methylphenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-5-phenyl-3-thiophen-2-yl-1-pyrrolidinyl]-1-butanone IUPAC Name: 3-methyl-1-[3-(4-methylbenzoyl)-2-phenyl-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[2-phenyl-5-(piperazine-1-carbonyl)-3-p-toluoyl-4-(2-thienyl)pyrrolidino]butan-1-one Formula: C32H37N3O3S MolecularWeight: 543.71948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=CC=C3)C(=O)CC(C)C)C(=O)N4CCNCC4)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=CC=C3)C(=O)CC(C)C)C(=O)N4CCNCC4)C5=CC=CS5

InChI

InChI=1S/C32H37N3O3S/c1-21(2)20-26(36)35-29(23-8-5-4-6-9-23)28(31(37)24-13-11-22(3)12-14-24)27(25-10-7-19-39-25)30(35)32(38)34-17-15-33-16-18-34/h4-14,19,21,27-30,33H,15-18,20H2,1-3H3