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

Systemtic Name: [4-(4-tert-butylphenyl)-2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-cyclobutyl-methanone Openeye Name: [4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclobutyl-methanone CAS Name: [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]-cyclobutylmethanone IUPAC Name: [4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-cyclobutylmethanone Traditional Name: [4-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidino]-cyclobutyl-methanone Formula: C34H42ClN5O3S MolecularWeight: 636.24698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2C(C(C(N2C(=O)C3CCC3)C(=O)N4CCNCC4)C5=CC=C(C=C5)C(C)(C)C)C(=O)C6=CC=CS6)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C2C(C(C(N2C(=O)C3CCC3)C(=O)N4CCNCC4)C5=CC=C(C=C5)C(C)(C)C)C(=O)C6=CC=CS6)Cl)C

InChI

InChI=1S/C34H42ClN5O3S/c1-20-25(31(35)38(5)37-20)28-27(30(41)24-10-7-19-44-24)26(21-11-13-23(14-12-21)34(2,3)4)29(33(43)39-17-15-36-16-18-39)40(28)32(42)22-8-6-9-22/h7,10-14,19,22,26-29,36H,6,8-9,15-18H2,1-5H3