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

Systemtic Name: 3,3-dimethyl-1-[2-(3-methylphenyl)-3-(4-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[3-(4-methylbenzoyl)-2-(m-tolyl)-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[2-(3-methylphenyl)-3-[(4-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-thiophen-2-yl-1-pyrrolidinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[3-(4-methylbenzoyl)-2-(3-methylphenyl)-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[2-(m-tolyl)-5-(piperazine-1-carbonyl)-3-p-toluoyl-4-(2-thienyl)pyrrolidino]butan-1-one Formula: C34H41N3O3S MolecularWeight: 571.77264

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

InChI

InChI=1S/C34H41N3O3S/c1-22-11-13-24(14-12-22)32(39)29-28(26-10-7-19-41-26)31(33(40)36-17-15-35-16-18-36)37(27(38)21-34(3,4)5)30(29)25-9-6-8-23(2)20-25/h6-14,19-20,28-31,35H,15-18,21H2,1-5H3