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

Systemtic Name: 3,3-dimethyl-1-[3-(4-methylphenyl)carbonyl-2-phenyl-5-piperazin-1-ylcarbonyl-4-thiophen-2-yl-pyrrolidin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[3-(4-methylbenzoyl)-2-phenyl-5-(piperazine-1-carbonyl)-4-(2-thienyl)pyrrolidin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[(4-methylphenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-5-phenyl-3-thiophen-2-yl-1-pyrrolidinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[3-(4-methylbenzoyl)-2-phenyl-5-(piperazine-1-carbonyl)-4-thiophen-2-ylpyrrolidin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[2-phenyl-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(=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(=O)CC(C)(C)C)C(=O)N4CCNCC4)C5=CC=CS5

InChI

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