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

Systemtic Name: [4-(4-tert-butylphenyl)-1-(phenylcarbonyl)-2-(2-phenylethenyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-thiophen-2-yl-methanone Openeye Name: [1-benzoyl-4-(4-tert-butylphenyl)-5-(piperazine-1-carbonyl)-2-styryl-pyrrolidin-3-yl]-(2-thienyl)methanone CAS Name: [1-benzoyl-4-(4-tert-butylphenyl)-5-[oxo(1-piperazinyl)methyl]-2-(2-phenylethenyl)-3-pyrrolidinyl]-thiophen-2-ylmethanone IUPAC Name: [1-benzoyl-4-(4-tert-butylphenyl)-2-(2-phenylethenyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-thiophen-2-ylmethanone Traditional Name: [1-benzoyl-4-(4-tert-butylphenyl)-5-(piperazine-1-carbonyl)-2-styryl-pyrrolidin-3-yl]-(2-thienyl)methanone Formula: C39H41N3O3S MolecularWeight: 631.82614

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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)C4=CC=CC=C4)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)C4=CC=CC=C4)C=CC5=CC=CC=C5)C(=O)C6=CC=CS6

InChI

InChI=1S/C39H41N3O3S/c1-39(2,3)30-19-17-28(18-20-30)33-34(36(43)32-15-10-26-46-32)31(21-16-27-11-6-4-7-12-27)42(37(44)29-13-8-5-9-14-29)35(33)38(45)41-24-22-40-23-25-41/h4-21,26,31,33-35,40H,22-25H2,1-3H3