1-[4-(4-tert-butylphenyl)-2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-(4-tert-butylphenyl)-2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethyl-4-pyrazolyl)-5-[oxo(1-piperazinyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidino]-2-methoxy-ethanone Formula: C32H40ClN5O4S MolecularWeight: 626.2091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2C(C(C(N2C(=O)COC)C(=O)N3CCNCC3)C4=CC=C(C=C4)C(C)(C)C)C(=O)C5=CC=CS5)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C2C(C(C(N2C(=O)COC)C(=O)N3CCNCC3)C4=CC=C(C=C4)C(C)(C)C)C(=O)C5=CC=CS5)Cl)C

InChI

InChI=1S/C32H40ClN5O4S/c1-19-24(30(33)36(5)35-19)27-26(29(40)22-8-7-17-43-22)25(20-9-11-21(12-10-20)32(2,3)4)28(38(27)23(39)18-42-6)31(41)37-15-13-34-14-16-37/h7-12,17,25-28,34H,13-16,18H2,1-6H3