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

Systemtic Name: 3-methyl-1-[2-(3-methylphenyl)-3-(4-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[3-(4-methylbenzoyl)-2-(m-tolyl)-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidin-1-yl]butan-1-one CAS Name: 3-methyl-1-[2-(3-methylphenyl)-3-[(4-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-thiophen-2-yl-1-pyrrolidinyl]-1-butanone IUPAC Name: 3-methyl-1-[3-(4-methylbenzoyl)-2-(3-methylphenyl)-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[2-(m-tolyl)-5-(piperazine-1-carbonyl)-3-p-toluoyl-4-(2-thienyl)pyrrolidino]butan-1-one Formula: C33H39N3O3S MolecularWeight: 557.74606

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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)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)C(=O)CC(C)C)C(=O)N4CCNCC4)C5=CC=CS5

InChI

InChI=1S/C33H39N3O3S/c1-21(2)19-27(37)36-30(25-8-5-7-23(4)20-25)29(32(38)24-12-10-22(3)11-13-24)28(26-9-6-18-40-26)31(36)33(39)35-16-14-34-15-17-35/h5-13,18,20-21,28-31,34H,14-17,19H2,1-4H3