[4-(4-tert-butylphenyl)-2-(2-phenylethenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-cyclobutyl-methanone

Systemtic Name: [4-(4-tert-butylphenyl)-2-(2-phenylethenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-cyclobutyl-methanone Openeye Name: [3-(4-tert-butylphenyl)-2-(piperazine-1-carbonyl)-5-styryl-4-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclobutyl-methanone CAS Name: [3-(4-tert-butylphenyl)-2-[oxo(1-piperazinyl)methyl]-4-[oxo(thiophen-2-yl)methyl]-5-(2-phenylethenyl)-1-pyrrolidinyl]-cyclobutylmethanone IUPAC Name: [4-(4-tert-butylphenyl)-2-(2-phenylethenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclobutylmethanone Traditional Name: [3-(4-tert-butylphenyl)-2-(piperazine-1-carbonyl)-5-styryl-4-(2-thenoyl)pyrrolidino]-cyclobutyl-methanone Formula: C37H43N3O3S MolecularWeight: 609.82062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCC4)C=CC5=CC=CC=C5)C(=O)C6=CC=CS6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)C4CCC4)C=CC5=CC=CC=C5)C(=O)C6=CC=CS6

InChI

InChI=1S/C37H43N3O3S/c1-37(2,3)28-17-15-26(16-18-28)31-32(34(41)30-13-8-24-44-30)29(19-14-25-9-5-4-6-10-25)40(35(42)27-11-7-12-27)33(31)36(43)39-22-20-38-21-23-39/h4-6,8-10,13-19,24,27,29,31-33,38H,7,11-12,20-23H2,1-3H3